SCHEMBL3384080

SCHEMBL3384080

CCCCNC(C)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.63
LMNA P02545 2/20 0.63
CHRM2 P08172 1/20 0.63
HTR1A P08908 1/20 0.63
ADRA2A P08913 1/20 0.63
ADORA3 P0DMS8 1/20 0.63
CHRM1 P11229 1/20 0.63
SMPD1 P17405 1/20 0.63
DRD1 P21728 1/20 0.63
TBXA2R P21731 1/20 0.63
SLC6A2 P23975 1/20 0.63
SLC6A4 P31645 1/20 0.63
ADRA1A P35348 1/20 0.63
OPRM1 P35372 1/20 0.63
DRD3 P35462 1/20 0.63
CASR P41180 1/20 0.63
HTR2B P41595 1/20 0.63
SLC6A3 Q01959 1/20 0.63
KCNH2 Q12809 1/20 0.63
CYP1A2 P05177 1/20 0.63

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
SCHEMBL13676409 1.00 CYP3A4 (0.63) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL7111009 0.94 CYP3A4 (0.61) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL13512369 0.94 CYP3A4 (0.61) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL27453134 0.92 CYP3A4 (0.59) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL15933354 0.92 CYP3A4 (0.59) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL24486065 0.92 CYP3A4 (0.59) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL27675560 0.92 CYP3A4 (0.59) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL15823791 0.92 CYP3A4 (0.59) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL11474471 0.92 CYP3A4 (0.59) CYP3A4LMNACHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL27865313 0.91 CYP3A4 (0.61) CYP3A4LMNACHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118555624-B Internet of things intelligent terminal system and method capable of actively adjusting communication mode 北京京能能源技术研究有限责任公司 2025-02-21 CN disclosed
CN-118555624-A Internet of things intelligent terminal system and method capable of actively adjusting communication mode 北京京能能源技术研究有限责任公司 2024-08-27 CN disclosed
US-8901354-B2 Method for producing N-substituted amine compounds through catalyzed alkylation LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2014-12-02 US disclosed
US-8901354-B2 Method for producing N-substituted amine compounds through catalyzed alkylation LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2014-12-02 US disclosed
CN-102786420-B Preparation method of chiral amine UNIV ZHEJIANG 2014-03-05 CN disclosed
US-20140039181-A1 METHOD FOR PRODUCING N-SUBSTITUTED AMINE COMPOUNDS THROUGH CATALYZED ALKYLATION LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2014-02-06 US disclosed
US-20140039181-A1 METHOD FOR PRODUCING N-SUBSTITUTED AMINE COMPOUNDS THROUGH CATALYZED ALKYLATION LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2014-02-06 US disclosed
EP-2623509-A1 Method of producing an optically active amine compound by catalytic asymmetric hydrogenation using a ruthenium-diphosphine complex Kanto Kagaku Kabushiki Kaisha (JP) 2013-08-07 EP disclosed
US-20130197234-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE COMPOUND NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2013-08-01 US disclosed
US-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 US disclosed
EP-2166002-A1 Chiral organic catalysts for the enantioselective reduction of n-alkyl and n-benzyl-substituted alicyclic and cyclic imines UNIVERSITA'DEGLI STUDI DI MILANO (IT) 2010-03-24 EP disclosed
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament SOCIETE DE CONSEILS DE RECHERECHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2009-07-02 US disclosed
US-7495110-B2 Benzimidazole derivatives and their use as GnRH antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-02-24 US disclosed
US-7220880-B2 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-05-22 US disclosed
US-20060111406-A1 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2006-05-25 US disclosed
CN-1662487-A Amide linker peroxisome proliferator-activated receptor modulators LILLY CO ELI (US) 2005-08-31 CN disclosed
EP-1268397-A2 METHOD FOR PREPARING (2S,3R,4S)-4-HYDROXYISOLEUCINE AND ANALOGUES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2003-01-02 EP disclosed
WO-2001072688-A2 METHOD FOR PREPARING (2S,3R,4S)-4-HYDROXYISOLEUCINE AND ANALOGUES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2001-10-04 WO disclosed
US-4958029-A Process for the production of isoindoline derivatives, novel intermediates and process for their production BANYU PHARMACEUTICAL CO., LTD. (JP) 1990-09-18 US disclosed
EP-0275064-A2 Process for the production of isoindoline derivatives, novel intermediates and process for their production Banyu Pharmaceutical Co., Ltd. (JP) 1988-07-20 EP 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-20140039181-A1 METHOD FOR PRODUCING N-SUBSTITUTED AMINE COMPOUNDS THROUGH CATALYZED ALKYLATION PNMT, NOS2, NNMT CYP3A4 145/4885LMNA 2113/4885CHRM2 351/4885
US-20120295903-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS CYP3A4 415/4885LMNA 3529/4885CHRM2 4242/4885
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament GNRHR, FSHR, KISS1R CYP3A4 304/4885LMNA 3127/4885CHRM2 377/4885
US-20130197234-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE COMPOUND HRH3, TDO2, SRM CYP3A4 2504/4885LMNA 4608/4885CHRM2 471/4885
US-20060111406-A1 Amide linker peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD CYP3A4 1163/4885LMNA 2523/4885CHRM2 1079/4885

“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.