SCHEMBL132201

SCHEMBL132201

NCCCc1ccc2ccccc2c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MC4R P32245 3/20 0.61
MC5R P33032 2/20 0.61
MC3R P41968 2/20 0.61
SIGMAR1 Q99720 3/20 0.59
CYP1A2 P05177 3/20 0.58
CYP2A6 P11509 1/20 0.52
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
MAOA P21397 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
Hydrochloric Acid SCHEMBL7360106 0.98 MC4R (0.59) MC4RMC5RMC3RSIGMAR1CYP1A2
SCHEMBL130904 0.94 MC4R (0.59) MC4RMC5RMC3RSIGMAR1CYP1A2
SCHEMBL14979612 0.93 MC4R (0.54) MC4RMC5RMC3RSIGMAR1CYP1A2
SCHEMBL610921 0.93 MC4R (0.54) MC4RMC5RMC3RSIGMAR1CYP1A2
SCHEMBL136034 0.92 MC4R (0.57) MC4RMC5RMC3RSIGMAR1CYP1A2
Hydrochloric Acid SCHEMBL17260634 0.92 MC4R (0.57) MC4RMC5RMC3RSIGMAR1CYP1A2
SCHEMBL130385 0.92 MC4R (0.57) MC4RMC5RMC3RSIGMAR1CYP1A2
Hydrochloric Acid SCHEMBL8424014 0.90 MC4R (0.56) MC4RMC5RMC3RSIGMAR1CYP1A2
SCHEMBL38430 0.87 MC4R (0.58) MC4RMC5RMC3RSIGMAR1CYP1A2
SCHEMBL29860016 0.87 MC4R (0.58) MC4RMC5RMC3RSIGMAR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112494644-B Composite adjuvant, vaccine containing composite adjuvant and application 中国医学科学院医学生物学研究所 2024-02-06 CN disclosed
CN-112494644-A Compound adjuvant, vaccine containing compound adjuvant and application 中国医学科学院医学生物学研究所 2021-03-16 CN disclosed
US-9745319-B2 Irreversible covalent inhibitors of the GTPase K-Ras G12C ARAXES PHARMA LLC (US) 2017-08-29 US disclosed
US-20160257677-A1 LARGE SUBSTITUTENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF RENSSELAER POLYTECHNIC INSTITUTE (US) 2016-09-08 US disclosed
US-20160031898-A1 IRREVERSIBLE COVALENT INHIBITORS OF THE GTPASE K-RAS G12C ARAXES PHARMA LLC 2016-02-04 US disclosed
US-9156821-B2 Large substituent, non-phenolic opioids and methods of use thereof RENSSELAER POLYTECHNIC INSTITUTE (US) 2015-10-13 US disclosed
US-20150051194-A1 LARGE SUBSTITUENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF RENSSELAER POLYTECHNIC INSTITUTE (US) 2015-02-19 US disclosed
US-8901148-B2 Large substituent, non-phenolic opioids and methods of use thereof RENSSELAER POLYTECHNIC INSTITUTE (US) 2014-12-02 US disclosed
EP-1512397-B1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2014-10-08 EP disclosed
EP-1924559-B1 8-CARBOXAMIDO-SUBSTITUTED-2 , 6-METHANO-3-BENZAZOCINES AND 3 - CARBOXAMIDO- SUBSTITUTED MORPHANES AS OPIOID RECEPTOR BINDING AGENTS RENSSELAER POLYTECH INST (US) 2014-04-16 EP disclosed
EP-1512397-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2004-12-23 US disclosed
EP-1352650-A1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES Institute of Medicinal Molecular Design, Inc. (JP) 2003-10-15 EP disclosed
US-6307090-B1 OXALYL ENDCAPPED; CONTAINING A BIVALENT RADICAL OF PHOSPHOTYROSINE OR A PHOSPHOTYROSINE MIMETIC THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-10-23 US disclosed
US-6057371-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS, DRUG ABUSE, ANGINA, MIGRAINE, HYPERTENSION AND DEPRESSION VIRGINIA COMMONWEALTH UNIVERSITY (US) 2000-05-02 US disclosed
EP-0846127-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY Novartis AG (CH) 1998-06-10 EP disclosed
WO-1997008193-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY NOVARTIS AG (CH) 1997-03-06 WO 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 (4 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-20150051194-A1 LARGE SUBSTITUENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF OPRK1, OPRM1, OPRD1 MC4R 277/4885MC5R 438/4885MC3R 350/4885
US-20160257677-A1 LARGE SUBSTITUTENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF OPRM1, OPRK1, SIGMAR1 MC4R 323/4885MC5R 400/4885MC3R 306/4885
US-20160031898-A1 IRREVERSIBLE COVALENT INHIBITORS OF THE GTPASE K-RAS G12C KRAS, HRAS, NRAS MC4R 4745/4885MC5R 4800/4885MC3R 4688/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB MC4R 2803/4885MC5R 2281/4885MC3R 3356/4885

“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.