SCHEMBL38430

SCHEMBL38430

NCCc1ccc2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.58
MC5R P33032 2/20 0.58
CYP2A6 P11509 2/20 0.56
CYP1A2 P05177 2/20 0.56
MC3R P41968 1/20 0.55
SIGMAR1 Q99720 1/20 0.53
HTR2A P28223 3/20 0.52
TAAR1 Q96RJ0 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.52
HTR2C P28335 1/20 0.52
HTR2B P41595 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP3A4 P08684 1/20 0.50
PNMT P11086 1/20 0.48
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
ADRB2 P07550 1/20 0.48

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
SCHEMBL29860016 1.00 MC4R (0.58) MC4RMC5RCYP2A6CYP1A2MC3R
Hydrochloric Acid SCHEMBL5169674 0.98 MC4R (0.56) MC4RMC5RCYP2A6CYP1A2MC3R
Iodide SCHEMBL28811367 0.98 MC4R (0.56) MC4RMC5RCYP2A6CYP1A2MC3R
Hydrochloric Acid SCHEMBL30098543 0.98 MC4R (0.56) MC4RMC5RCYP2A6CYP1A2MC3R
Hydrochloric Acid SCHEMBL9530514 0.96 MC4R (0.55) MC4RMC5RCYP2A6CYP1A2MC3R
SCHEMBL3721251 0.93 ALDH1A1 (0.52) MC4RMC5RCYP2A6CYP1A2MC3R
Bicarbonate SCHEMBL9852517 0.90 CYP1A2 (0.62) MC4RMC5RCYP2A6CYP1A2MC3R
Hydrochloric Acid SCHEMBL6563371 0.88 KDM4E (0.58) CYP2A6CYP1A2HTR2ATAAR1ALDH1A1
SCHEMBL132201 0.87 MC4R (0.61) MC4RMC5RCYP2A6CYP1A2MC3R
SCHEMBL29120351 0.86 TAAR1 (0.52) CYP2A6CYP1A2HTR2ATAAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12075637-B2 Perovskite solar cell and fabrication method thereof CONTEMPORARY AMPEREX TECHNOLOGY CO., LIMITED (CN) 2024-08-27 US claimed
CN-117859209-A Perovskite solar cell and preparation method thereof 宁德时代新能源科技股份有限公司 2024-04-09 CN claimed
EP-4300602-A1 PEROVSKITE SOLAR CELL AND PREPARATION METHOD THEREFOR Contemporary Amperex Technology Co., Limited (CN) 2024-01-03 EP claimed
US-20230403869-A1 PEROVSKITE SOLAR CELL AND FABRICATION METHOD THEREOF CONTEMPORARY AMPEREX TECHNOLOGY (HONG KONG) LIMITED (CN) 2023-12-14 US claimed
WO-2023216132-A1 PEROVSKITE SOLAR CELL AND PREPARATION METHOD THEREFOR 宁德时代新能源科技股份有限公司 2023-11-16 WO claimed
CN-114892269-A Reversible thermochromism two-dimensional halogenated lead perovskite single crystal and preparation method thereof 上海电力大学 2022-08-12 CN claimed
WO-2018220646-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF (2S)-2-[(4R)-2-OXO-4-PROPYLTETRAHYDRO-1H-PYRROL-1-YL] BUTANAMIDE AND ITS INTERMEDIATES THEREOF MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2018-12-06 WO claimed
US-9435816-B2 Deuterium free, stable isotope labeled 2-phenylethylamine hallucinogens and/or stimulants, methods of their preparation and their use CHIRON AS (NO) 2016-09-06 US claimed
US-20140227792-A1 DEUTERIUM FREE, STABLE ISOTOPE LABELED 2-PHENYLETHYLAMINE HALLUCINOGENS AND/OR STIMULANTS, METHODS OF THEIR PREPARATION AND THEIR USE CHIRON A/S (NO) 2014-08-14 US claimed
EP-2744908-A1 ENZYMATIC SYNTHESIS OF OPTICALLY ACTIVE CHIRAL AMINES Embio Limited (IN) 2014-06-25 EP claimed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US claimed
US-20070100142-A1 Reacting 1-amino-2-hydroxy-indene with a first protecting group containing a leaving group, followed by acetylation to prepare a protected intermediate, reacting with trifluoromethyl substituted ketone, then with metal oxide, hydrolysis, esterification, reaction with amino-picoline BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2007-05-03 US claimed
WO-2007040959-A1 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-12 WO claimed
WO-2007038277-A2 RESOLUTION OF ALPHA-(PHENOXY) PHENYLACETIC ACID DERIVATIVES WITH NAPHTHYL-ALKYLAMINES METABOLEX, INC. (US) 2007-04-05 WO claimed
WO-2006064232-A1 AMINE SALTS OF (-)-2-((2-(4-HYDROXYPHENYL)ETHYL)THIO)-3-(4-(2-(4-((METHYLSULFONYL)OXY) PHENOXY)ETHYL)PHENYL) PROPANOIC ACID ASTRAZENECA AB (SE) 2006-06-22 WO claimed
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha LUM ROBERT T (US) 2005-04-14 US claimed
EP-1070048-A4 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2001-11-07 EP claimed
EP-1070048-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2001-01-24 EP claimed
WO-1999051569-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1999-10-14 WO claimed
EP-0731790-A1 TACHYKININ ANTAGONISTS A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) 1996-09-18 EP 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 (3 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-20140227792-A1 DEUTERIUM FREE, STABLE ISOTOPE LABELED 2-PHENYLETHYLAMINE HALLUCINOGENS AND/OR STIMULANTS, METHODS OF THEIR PREPARATION AND THEIR USE PNMT, HTR2C, HTR2A MC4R 920/4885MC5R 625/4885CYP2A6 110/4885
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha IKBKB, NFKB1, CDK4 MC4R 1748/4885MC5R 924/4885CYP2A6 2515/4885
US-20070100142-A1 Reacting 1-amino-2-hydroxy-indene with a first protecting group containing a leaving group, followed by acetylation to prepare a protected intermediate, reacting with trifluoromethyl substituted ketone, then with metal oxide, hydrolysis, esterification, reaction with amino-picoline ALDH7A1, AADAT, ALDH18A1 MC4R 3091/4885MC5R 2174/4885CYP2A6 903/4885

“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.