SCHEMBL2123774

SCHEMBL2123774

CCCCOC(=O)C(N)Cc1c[nH]c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.64
▸ MAPT P10636 3/20 0.62
▸ KDM4E B2RXH2 2/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ LMNA P02545 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ MPO P05164 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ BLM P54132 1/20 0.62
▸ PMP22 Q01453 1/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ SCN9A Q15858 1/20 0.55
▸ HTR2A P28223 2/20 0.54
▸ KCNA5 P22460 2/20 0.54
▸ ADRB1 P08588 1/20 0.53
▸ HTR1A P08908 1/20 0.53
▸ ADRA2A P08913 1/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ HTR1D P28221 1/20 0.53
▸ HTR1B P28222 1/20 0.53

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
SCHEMBL16007455 1.00 TACR1 (0.64) TACR1MAPTKDM4EMEN1LMNA
SCHEMBL30852356 1.00 TACR1 (0.64) TACR1MAPTKDM4EMEN1LMNA
SCHEMBL31258991 1.00 TACR1 (0.64) TACR1MAPTKDM4EMEN1LMNA
SCHEMBL1167928 1.00 TACR1 (0.64) TACR1MAPTKDM4EMEN1LMNA
Hydrochloric Acid SCHEMBL1167927 0.99 TACR1 (0.62) TACR1MAPTKDM4EMEN1LMNA
Hydrochloric Acid SCHEMBL18185314 0.99 TACR1 (0.62) TACR1MAPTKDM4EMEN1LMNA
Hydrochloric Acid SCHEMBL1167925 0.99 TACR1 (0.62) TACR1MAPTKDM4EMEN1LMNA
SCHEMBL6423830 0.96 TACR1 (0.62) TACR1MAPTKDM4EMEN1LMNA
SCHEMBL12966393 0.96 TACR1 (0.62) TACR1MAPTKDM4EMEN1LMNA
SCHEMBL6423829 0.96 TACR1 (0.62) TACR1MAPTKDM4EMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102093578-A Preparation method of shape-controllable amino-acid ester (with side group benzene ring) substituted polyphosphazene microspheres UNIV BEIJING CHEMICAL 2011-06-15 — — CN claimed
CN-101048139-A Compositions for controlled delivery of pharmaceutically active compounds IDEXX LAB INC (US) 2007-10-03 — — CN claimed
CN-120019060-A Compounds and their use for filtering ultraviolet and/or high-energy visible light 索利奥美公司 2025-05-16 — — CN disclosed
WO-2024243289-A2 GUT MICROBE DERIVED AROMATIC AMINO ACID METABOLITES FOR DETECTION AND TREATMENT OF DISEASE THE CLEVELAND CLINIC FOUNDATION (US) 2024-11-28 — — WO disclosed
US-9949952-B2 Methods and compositions for transdermal delivery SPRAYABLE HOLDINGS, INC. (US) 2018-04-24 — — US disclosed
US-9211249-B2 Methods and compositions for transdermal delivery of caffeine in the form of solutions or suspensions SPRAYABLE HOLDINGS, INC. 2015-12-15 — — US disclosed
US-9175006-B2 Compositions and methods for cyclofructans as separation agents BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-11-03 — — US disclosed
US-20150258065-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY SPRAYABLE HOLDINGS, INC. 2015-09-17 — — US disclosed
US-20140364610-A1 COMPOUND SUITABLE FOR THE TREATMENT OF SYNUCLEOPATHIES NEUROPORE THERAPIES, INC. 2014-12-11 — — US disclosed
US-20140364610-A1 COMPOUND SUITABLE FOR THE TREATMENT OF SYNUCLEOPATHIES NEUROPORE THERAPIES, INC. 2014-12-11 — — US disclosed
US-20140364610-A1 COMPOUND SUITABLE FOR THE TREATMENT OF SYNUCLEOPATHIES NEUROPORE THERAPIES, INC. 2014-12-11 — — US disclosed
CN-102725284-A Compound suitable for the treatment of synucleopathies NEUROPORE THERAPIES INC 2012-10-10 — — CN disclosed
EP-2443127-A2 COMPOSITIONS AND METHODS FOR CYCLOFRUCTANS AS SEPARATION AGENTS Board of Regents, The University of Texas System (US) 2012-04-25 — — EP disclosed
WO-2011084642-A1 COMPOUND SUITABLE FOR THE TREATMENT OF SYNUCLEOPATHIES NEUROPORE THERAPIES, INC. (US) 2011-07-14 — — WO disclosed
WO-2011084642-A1 COMPOUND SUITABLE FOR THE TREATMENT OF SYNUCLEOPATHIES NEUROPORE THERAPIES, INC. (US) 2011-07-14 — — WO disclosed
CN-102093578-A Preparation method of shape-controllable amino-acid ester (with side group benzene ring) substituted polyphosphazene microspheres UNIV BEIJING CHEMICAL 2011-06-15 — — CN disclosed
US-20110024292-A1 COMPOSITIONS AND METHODS FOR CYCLOFRUCTANS AS SEPARATION AGENTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-02-03 — — US disclosed
WO-2010148191-A2 COMPOSITIONS AND METHODS FOR CYCLOFRUCTANS AS SEPARATION AGENTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-12-23 — — WO disclosed
CN-101048139-A Compositions for controlled delivery of pharmaceutically active compounds IDEXX LAB INC (US) 2007-10-03 — — CN disclosed
US-20060079497-A1 Lavendamycin analogues and methods of synthesizing and using lavendamycin analogues BALL STATE UNIVERSITY 2006-04-13 — — 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 (4 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-20110024292-A1 COMPOSITIONS AND METHODS FOR CYCLOFRUCTANS AS SEPARATION AGENTS PAICS, DCXR, PFAS TACR1 869/4885MAPT 1797/4885KDM4E 4235/4885
US-20150258065-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY MTNR1A, MTNR1B, CYP27B1 TACR1 1032/4885MAPT 2224/4885KDM4E 2385/4885
US-20140364610-A1 COMPOUND SUITABLE FOR THE TREATMENT OF SYNUCLEOPATHIES SNCA, HTT, MAPT TACR1 3345/4885MAPT 3/4885KDM4E 3670/4885
US-20060079497-A1 Lavendamycin analogues and methods of synthesizing and using lavendamycin analogues MCL1, LSS, MRPS18A TACR1 4685/4885MAPT 4317/4885KDM4E 1306/4885

“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.

Send feedback