SCHEMBL178066

SCHEMBL178066

C=CCNc1c[nH]c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR1D P28221 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR1E P28566 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
HRH1 P35367 1/20 0.48
ADRA1B P35368 1/20 0.48
DRD3 P35462 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR2B P41595 1/20 0.48
HTR6 P50406 1/20 0.48
SLC6A3 Q01959 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
ALDH1A1 P00352 4/20 0.47

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
Acrylic Acid SCHEMBL23883385 0.90 STING1 (0.45) HTR1AADRA2AADRA2BADRA2CSLC6A2
SCHEMBL22299626 0.83 CYP2A6 (0.49) HTR2AMEN1MAPTKMT2AGPR84
SCHEMBL701071 0.80 GPR84 (0.47) HTR1AHTR1DHTR2AHTR2CHTR6
SCHEMBL11005684 0.80 CYP3A4 (0.44) HTR1DHTR2AHTR2CHTR6ALDH1A1
SCHEMBL28743536 0.77 IMPDH2 (0.44) HTR1AADRA2AADRA2BADRA2CSLC6A2
SCHEMBL1260955 0.77 HTR2A (0.51) HTR1AHTR2AHTR6ALDH1A1HTT
SCHEMBL30753171 0.77 HTR2A (0.51) HTR1AHTR2AHTR6ALDH1A1HTT
SCHEMBL8027363 0.76 ALDH1A1 (0.44) HTR1AADRA2AADRA2BADRA2CSLC6A2
SCHEMBL2278702 0.74 KDR (0.52) SLC6A2LMNAHSD17B10MEN1MAPT
SCHEMBL7507194 0.74 HTR2A (0.49) HTR1AHTR2AALDH1A1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1088912-A The 4-amino-3-hydroxycarboxylic acid derivatives SANDOZ LTD (CH) 1994-07-06 CN claimed
JP-7267913-A None JP disclosed
CN-109311876-B Heteroaryl estrogen receptor modulators and uses thereof 豪夫迈·罗氏有限公司 2022-05-03 CN disclosed
US-9636341-B2 Substituted indolyl alkyl amino derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2017-05-02 US disclosed
US-20150342950-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2015-12-03 US disclosed
US-9150543-B2 Substituted indolyl alkyl amino derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N. V. (BE) 2015-10-06 US disclosed
EP-1755581-B1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYOCARDIAL CONDITIONS NORTHERN SYDNEY LOCAL HEALTH DISTR (AU) 2015-07-15 EP disclosed
US-20140309248-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2014-10-16 US disclosed
EP-2776462-A1 INDOLEALKYLAMINO-WITHASTEROID CONJUGATES AND METHOD OF USE Natreon, Inc. (US) 2014-09-17 EP disclosed
WO-2013070619-A8 INDOLEALKYLAMINO-WITHASTEROID CONJUGATES AND METHOD OF USE NATREON, INC. (US) 2014-05-08 WO disclosed
EP-0464558-B1 Antimigraine alkoxypyrimidine derivatives BRISTOL MYERS SQUIBB CO (US) 1994-12-28 EP disclosed
CN-1088912-A The 4-amino-3-hydroxycarboxylic acid derivatives SANDOZ LTD (CH) 1994-07-06 CN disclosed
US-5300506-A Indole-3-alkyl derivatives of alkoxypyrimidinylpiperazines BRISTOL-MYERS SQUIBB COMPANY (US) 1994-04-05 US disclosed
EP-0548813-A1 Antimigraine 4-pyrimidinyl and pyridinyl derivatives of indol-3yl-alkyl piperazines Bristol-Myers Squibb Company (US) 1993-06-30 EP disclosed
EP-0464558-A1 Antimigraine alkoxypyrimidine derivatives Bristol-Myers Squibb Company (US) 1992-01-08 EP disclosed
US-4495352-A HYPOTENSIVE AGENTS; VASODILATION; ADRENERGIC BLOCKING ACTION MEAD JOHNSON & COMPANY (US) 1985-01-22 US disclosed
US-4314943-A ANTIHYPERTENSIVE AGENTS; VASODILATORS MEAD JOHNSON & COMPANY (US) 1982-02-09 US disclosed
US-4234595-A HYPOTENSIVE AGENTS; ADRENERGIC BLOCKING AGENTS; VASODILATION MEAD JOHNSON & COMPANY (US) 1980-11-18 US disclosed
US-4110322-A SENILITY, MENTAL PERFORMANCE STIMULANTS AKZONA INCORPORATED (US) 1978-08-29 US disclosed
US-3997539-A HYPOTENSIVE, TRANQUILIZER AMERICAN HOECHST CORPORATION (US) 1976-12-14 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 (2 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-20140309248-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 HTR1A 578/4885ADRA2A 1734/4885ADRA2B 1830/4885
US-20150342950-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 HTR1A 688/4885ADRA2A 2113/4885ADRA2B 2126/4885

“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.