SCHEMBL606716

SCHEMBL606716

CNCc1ccccc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.55
SLC6A4 P31645 5/20 0.50
SLC6A2 P23975 4/20 0.50
SLC6A3 Q01959 4/20 0.50
HPGD P15428 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HTR2A P28223 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CYP2A13 Q16696 1/20 0.47
KDM4E B2RXH2 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46
LTA4H P09960 1/20 0.46
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
LMNA P02545 1/20 0.44

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
Hydrochloric Acid SCHEMBL23527967 0.98 CHRM2 (0.53) CHRM2SLC6A4SLC6A2SLC6A3HPGD
SCHEMBL31265560 0.84 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3ALDH1A1HTR2A
SCHEMBL8016874 0.84 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3ALDH1A1HTR2A
SCHEMBL16248034 0.82 LTA4H (0.53) CHRM2SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL40401 0.82 CHRM2 (0.69) CHRM2HPGDALDH1A1TAAR1KMT2A
SCHEMBL1254035 0.81 TP53 (0.44) SLC6A4SLC6A2SLC6A3HTR2AMAPT
Hydrochloric Acid SCHEMBL6065696 0.80 CHRM2 (0.67) CHRM2HPGDALDH1A1TAAR1KMT2A
SCHEMBL4582835 0.80 CHRM2 (0.55) CHRM2HPGDALDH1A1TAAR1KMT2A
SCHEMBL29477327 0.78 TAAR1 (0.56) CHRM2HPGDALDH1A1TAAR1KMT2A
SCHEMBL2090458 0.78 TAAR1 (0.56) CHRM2HPGDALDH1A1TAAR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US claimed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
CN-101410366-A Substituted bicyclic ring derivatives and uses thereof ASAHI KASEI PHARMA CORP (JP) 2009-04-15 CN claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP claimed
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US claimed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO claimed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US claimed
US-12441704-B2 Compounds active towards nuclear receptors NUEVOLUTION A/S (DK) 2025-10-14 US disclosed
WO-2024110758-A2 NATURAL KILLER CELLS NK:IO Ltd (GB) 2024-05-30 WO disclosed
CN-114728170-B Compounds active on nuclear receptors 纽韦卢森公司 2024-03-01 CN disclosed
WO-2023239750-A1 BICYCLIC-SUBSTITUTED GLUTARIMIDE CEREBLON BINDERS C4 THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
US-20230337517-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-10-19 US disclosed
US-5712273-A OLIGOPEPTIDE, TACHYKININ ANTAGONIST, ANTIINFLAMMATORY, ANTIALLERGY BOEHRINGER INGELHEIM GMBH (DE) 1998-01-27 US disclosed
US-5700827-A TACHYKININ ANTAGONISTS; ANTIHISTAMINES, ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM GMBH (DE) 1997-12-23 US disclosed
EP-0804463-A1 NEUROKININE (TACHYKININE) ANTAGONISTS BOEHRINGER INGELHEIM KG (DE) 1997-11-05 EP disclosed
WO-1995030687-A1 NEUROKININE (TACHYKININE) ANTAGONISTS BOEHRINGER INGELHEIM KG (DE) 1995-11-16 WO disclosed
US-5378689-A Hypotensive agents; administrable by mouth SANKYO COMPANY, LIMITED (JP) 1995-01-03 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 (5 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R CHRM2 553/4885SLC6A4 2513/4885SLC6A2 3349/4885
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF ACKR3, KIT, C3AR1 CHRM2 2271/4885SLC6A4 2681/4885SLC6A2 4293/4885
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ CHRM2 3164/4885SLC6A4 4403/4885SLC6A2 4767/4885
US-12441704-B2 Compounds active towards nuclear receptors NCOA1, NR1H2, NCOA3 CHRM2 1036/4885SLC6A4 4193/4885SLC6A2 4262/4885
US-20230337517-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LBR, OCIAD2, OCIAD1 CHRM2 135/4885SLC6A4 4644/4885SLC6A2 3876/4885

“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.