SCHEMBL164537

SCHEMBL164537

c1ccc(C2CNCCN2c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.59
SLC6A4 P31645 4/20 0.59
SLC6A3 Q01959 4/20 0.59
CYP2D6 P10635 1/20 0.59
HTR2C P28335 5/20 0.47
HTR2B P41595 5/20 0.47
HTR2A P28223 3/20 0.47
ADRB1 P08588 2/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC1 Q13547 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL13699524 1.00 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL5894706 0.98 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
Methyl Alcohol SCHEMBL28137463 0.95 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL27587863 0.90 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL1945934 0.90 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL28597180 0.89 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
Propanol SCHEMBL27627306 0.88 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
Cyclohexanone SCHEMBL27571035 0.87 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL7998290 0.86 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL28597186 0.85 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024879-A1 COMPOUNDS FOR TREATMENT OF HEPACI VIRUS INFECTION AND METHOD FOR DETERMINING THERAPY OF HEPACI VIRUS INFECTION, IN PARTICULAR, HCV INFECTION TWINCORE ZENTRUM FUR EXPERIMENTELLE UND KLINISCHE INFEKTIONSFORSCHUNG GMBH (DE) 2022-01-27 US claimed
WO-2021262825-A2 DISRUPTING LIPID SYNTHESIS: A NOVEL TARGET FOR BROAD-SPECTRUM HOST-DIRECTED ANTI-VIRULENCE THERAPEUTICS GENETIC NETWORKS, LLC (US) 2021-12-30 WO claimed
EP-3898593-A2 COMPOUNDS FOR TREATMENT OF HEPACI VIRUS INFECTION AND METHOD FOR DETERMINING THERAPY OF HEPACI VIRUS INFECTION, IN PARTICULAR, HCV INFECTION Gottfried Wilhelm Leibniz Universität Hannover (DE) 2021-10-27 EP claimed
WO-2020127211-A2 COMPOUNDS FOR TREATMENT OF HEPACI VIRUS INFECTION AND METHOD FOR DETERMINING THERAPY OF HEPACI VIRUS INFECTION, IN PARTICULAR, HCV INFECTION GOTTFRIED WILHELM LEIBNIZ UNIVERSITÄT HANNOVER (DE) 2020-06-25 WO claimed
EP-3670498-A1 COMPOUNDS FOR TREATMENT OF HEPACI VIRUS INFECTION AND METHOD FOR DETERMINING THERAPY OF HEPACI VIRUS INFECTION, IN PARTICULAR, HCV INFECTION Gottfried Wilhelm Leibniz Universität Hannover (DE) 2020-06-24 EP claimed
CN-111138713-A Stearylamine modified ammonium polyphosphate and preparation method and application thereof 上海普利特复合材料股份有限公司 2020-05-12 CN claimed
CN-107556255-A A kind of organic amine modified melamine polyphosphate and preparation method thereof 东华大学 2018-01-09 CN claimed
CN-107459492-A A kind of organically-modified melamine polyphosphate and preparation method thereof 东华大学 2017-12-12 CN claimed
US-20110269715-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. 2011-11-03 US claimed
EP-1269990-B1 Cosmetic or dermatological composition comprising acylaminoamide derivatives OREAL (FR) 2010-10-13 EP claimed
US-6344461-B1 Treating skin wrinkles/fine lines with calcium channel inhibitors SOCIETE L'OREAL S.A. (FR) 2002-02-05 US claimed
EP-0549796-B1 DIPHENYLPIPERAZINE DERIVATIVE AND DRUG FOR CIRCULATORY ORGAN CONTAINING THE SAME POLA CHEM IND INC (JP) 1998-04-29 EP claimed
WO-1997018782-A1 TREATMENT WITH CALCIUM CHANNEL BLOCKERS FOR DRUG-INDUCED HYPERSENSITIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 1997-05-29 WO claimed
EP-0675118-A2 Biphenylderivatives, process for their preparation and their use as medicaments Eisai Co., Ltd. (JP) 1995-10-04 EP claimed
US-5391552-A Has strong antagonism against calcium with less side effects POLA CHEMICAL INDUSTRIES, INC. (JP) 1995-02-21 US claimed
EP-0612738-A1 Diphenylpiperazine derivative and drug for circulatory organ containing the same POLA CHEMICAL INDUSTRIES, INC. (JP) 1994-08-31 EP claimed
EP-0555302-A1 METHOD OF TREATING DEMYELINATING DISEASE THE WELLCOME FOUNDATION LIMITED (GB) 1993-08-18 EP claimed
EP-0549796-A1 DIPHENYLPIPERAZINE DERIVATIVE AND DRUG FOR CIRCULATORY ORGAN CONTAINING THE SAME POLA CHEMICAL INDUSTRIES INC (JP) 1993-07-07 EP claimed
WO-1992007564-A2 METHOD OF TREATING DEMYELINATING DISEASE THE WELLCOME FOUNDATION LIMITED (GB) 1992-05-14 WO claimed
WO-1990006123-A1 THERAPEUTIC USE OF CALCIUM ENTRY BLOCKERS IN RETINAL OR OPTIC NERVE DYSFUNCTION HOUSTON BIOTECHNOLOGY INCORPORATED (US) 1990-06-14 WO claimed

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-20220024879-A1 COMPOUNDS FOR TREATMENT OF HEPACI VIRUS INFECTION AND METHOD FOR DETERMINING THERAPY OF HEPACI VIRUS INFECTION, IN PARTICULAR, HCV INFECTION HAVCR2, HCCS, HELZ SLC6A2 3163/4885SLC6A4 3507/4885SLC6A3 1892/4885
US-20110269715-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE CNR2, CNR1, PTGIR SLC6A2 3485/4885SLC6A4 3312/4885SLC6A3 3658/4885

“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.