SCHEMBL6854090

SCHEMBL6854090

O=C1NCC2CCCc3cccc1c32

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 12/20 0.56
HTR3B O95264 1/20 0.45
ADRA2A P08913 1/20 0.45
KCNE1 P15382 1/20 0.45
ADRA2C P18825 1/20 0.45
CHRM3 P20309 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
HRH1 P35367 1/20 0.45
DRD3 P35462 1/20 0.45
CHRNA4 P43681 1/20 0.45
HTR3A P46098 1/20 0.45
KCNQ1 P51787 1/20 0.45
KCNH2 Q12809 1/20 0.45
SCN5A Q14524 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31037184 1.00 PARP1 (0.56) PARP1HTR3BADRA2AKCNE1ADRA2C
Hydrochloric Acid SCHEMBL2456613 0.98 PARP1 (0.55) PARP1HTR3BADRA2AKCNE1ADRA2C
SCHEMBL21556355 0.81 HTR3B (0.40) PARP1HTR3BADRA2AKCNE1ADRA2C
SCHEMBL19698078 0.81 HTR3B (0.40) PARP1HTR3BADRA2AKCNE1ADRA2C
SCHEMBL4501455 0.77 OPRL1 (0.35) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL3586036 0.76 HTR3B (0.48) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL830902 0.76 HTR3B (0.48) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL7013965 0.76 HTR3B (0.48) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL25138070 0.74 PARP1 (0.51) PARP1HTR3BADRA2AKCNE1ADRA2C
SCHEMBL829382 0.74 HTR3B (0.50) HTR3BADRA2AKCNE1ADRA2CCHRM3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250381198-A1 MIDAZOLAM AND KETAMINE FOR ENHANCED SEDATION FIFTH THIRD BANK, NATIONAL ASSOCIATION, AS AGENT 2025-12-18 US disclosed
US-12083126-B2 Pharmaceutical compositions and methods for anesthesiological applications MELT PHARMACEUTICALS, INC. (US) 2024-09-10 US disclosed
US-20240207285-A1 MIDAZOLAM AND KETAMINE FOR ENHANCED SEDATION FIFTH THIRD BANK, NATIONAL ASSOCIATION, AS AGENT 2024-06-27 US disclosed
US-20220249510-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR ANESTHESIOLOGICAL APPLICATIONS FIFTH THIRD BANK, NATIONAL ASSOCIATION, AS AGENT 2022-08-11 US disclosed
EP-4019023-A1 FORMULATIONS OF FOSAPREPITANT AND APREPITANT Zhuhai Beihai Biotech Co., Ltd. (CN) 2022-06-29 EP disclosed
WO-2022038528-A1 NANO LIPID CARRIER SYSTEM FOR IMPROVING PERMEATION OF ACTIVE INGREDIENTS LEIUTIS PHARMACEUTICALS LLP (IN) 2022-02-24 WO disclosed
US-20210085691-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR ANESTHESIOLOGICAL APPLICATIONS FIFTH THIRD BANK, NATIONAL ASSOCIATION, AS AGENT 2021-03-25 US disclosed
US-20200297734-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR ANESTHESIOLOGICAL APPLICATIONS FIFTH THIRD BANK, NATIONAL ASSOCIATION, AS AGENT 2020-09-24 US disclosed
US-20200155568-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR ANESTHESIOLOGICAL APPLICATIONS FIFTH THIRD BANK, NATIONAL ASSOCIATION, AS AGENT 2020-05-21 US disclosed
US-10391102-B2 Pharmaceutical compositions and methods for anesthesiological applications MELT PHARMACEUTICALS, INC. (US) 2019-08-27 US disclosed
US-20180177797-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR ANESTHESIOLOGICAL APPLICATIONS FIFTH THIRD BANK, NATIONAL ASSOCIATION, AS AGENT 2018-06-28 US disclosed
WO-2018094394-A1 FORMULATIONS OF ROLAPITANT ZHUHAI BEIHAI BIOTECH CO., LTD. (CN) 2018-05-24 WO disclosed
US-9918993-B2 Pharmaceutical compositions for anesthesiological applications IMPRIMIS PHARMACEUTICALS, INC. (US) 2018-03-20 US disclosed
WO-2018027029-A1 FORMULATIONS OF FOSAPREPITANT AND APREPITANT ZHUHAI BEIHAI BIOTECH CO., LTD. (CN) 2018-02-08 WO disclosed
US-20160367566-A1 PHARMACEUTICAL COMPOSITIONS FOR ANESTHESIOLOGICAL APPLICATIONS FIFTH THIRD BANK, NATIONAL ASSOCIATION, AS AGENT 2016-12-22 US disclosed
US-20120253046-A1 PALONOSETRON METABOLITES HELSINN HEALTHCARE S.A. (CH) 2012-10-04 US disclosed
US-8093391-B2 Process for the preparation of substantially pure palonosetron and its acid salts Sterling Biotech Research Center (IN) 2012-01-10 US disclosed
US-20110021778-A1 Process for the Preparation of Substantially Pure Palonosetron and its Acid Salts STERLING BIOTECH RESEARCH CENTER, A CORPORATE RESEARCH CENTER OF STERLING BIOTECH LTD. (IN) 2011-01-27 US disclosed
US-20070059254-A1 Compositions for delivering 5-ht agonists across the oral mucosa and methods of use thereof TRANSORAL PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
US-20070059254-A1 Compositions for delivering 5-ht agonists across the oral mucosa and methods of use thereof TRANSORAL PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220249510-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR ANESTHESIOLOGICAL APPLICATIONS GRIN3A, OPRK1, GRIN2B PARP1 3797/4885HTR3B 266/4885ADRA2A 61/4885
US-20180177797-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR ANESTHESIOLOGICAL APPLICATIONS GRIN2B, GRIN3A, GABRA5 PARP1 3568/4885HTR3B 269/4885ADRA2A 83/4885
US-10391102-B2 Pharmaceutical compositions and methods for anesthesiological applications GRIN2B, GRIN3A, GABRA5 PARP1 3568/4885HTR3B 269/4885ADRA2A 84/4885
US-20240207285-A1 MIDAZOLAM AND KETAMINE FOR ENHANCED SEDATION KCNA3, OPRK1, KCNA7 PARP1 3585/4885HTR3B 131/4885ADRA2A 52/4885
US-20160367566-A1 PHARMACEUTICAL COMPOSITIONS FOR ANESTHESIOLOGICAL APPLICATIONS GRIN2B, GRIN3A, GABRB1 PARP1 3210/4885HTR3B 262/4885ADRA2A 90/4885
US-20200297734-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR ANESTHESIOLOGICAL APPLICATIONS GRIN3A, OPRK1, GRIN2B PARP1 3797/4885HTR3B 266/4885ADRA2A 61/4885
US-20210085691-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR ANESTHESIOLOGICAL APPLICATIONS GRIN2B, GRIN3A, GRIN1 PARP1 3256/4885HTR3B 227/4885ADRA2A 76/4885
US-20250381198-A1 MIDAZOLAM AND KETAMINE FOR ENHANCED SEDATION KCNA3, OPRK1, KCNA7 PARP1 3585/4885HTR3B 131/4885ADRA2A 52/4885
US-20200155568-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR ANESTHESIOLOGICAL APPLICATIONS GRIN2B, GRIN3A, GABRA5 PARP1 3568/4885HTR3B 269/4885ADRA2A 84/4885
US-20120253046-A1 PALONOSETRON METABOLITES CYP3A5, MC2R, CYP21A2 PARP1 2007/4885HTR3B 168/4885ADRA2A 325/4885
US-20070059254-A1 Compositions for delivering 5-ht agonists across the oral mucosa and methods of use thereof HTR5A, HTR1A, HTR3A PARP1 3336/4885HTR3B 6/4885ADRA2A 442/4885
US-12083126-B2 Pharmaceutical compositions and methods for anesthesiological applications GRIN3A, OPRK1, GRIN2B PARP1 3797/4885HTR3B 266/4885ADRA2A 61/4885
US-20110021778-A1 Process for the Preparation of Substantially Pure Palonosetron and its Acid Salts CYP21A2, CYP26B1, CYP26A1 PARP1 1889/4885HTR3B 36/4885ADRA2A 124/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.