SCHEMBL7636733

SCHEMBL7636733

COc1ccccc1CCC(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.60
AOC3 Q16853 1/20 0.58
SIGMAR1 Q99720 1/20 0.53
KCNH2 Q12809 1/20 0.51
IDO1 P14902 2/20 0.50
HRH3 Q9Y5N1 1/20 0.50
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
ABCB1 P08183 1/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
CHRM2 P08172 2/20 0.48
CHRM1 P11229 2/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA5A P35218 1/20 0.47
CHRM3 P20309 1/20 0.47

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
SCHEMBL31147801 1.00 TAAR1 (0.60) TAAR1AOC3SIGMAR1KCNH2IDO1
SCHEMBL19398947 0.89 TAAR1 (0.56) TAAR1AOC3SIGMAR1KCNH2IDO1
SCHEMBL28874010 0.88 TAAR1 (0.49) TAAR1AOC3SIGMAR1KCNH2IDO1
SCHEMBL8957418 0.86 HRH1 (0.44) TAAR1AOC3SIGMAR1HTT
SCHEMBL11742522 0.85 TAAR1 (0.53) TAAR1AOC3SIGMAR1CHRM2MPO
SCHEMBL23259489 0.85 TAAR1 (0.56) TAAR1AOC3SIGMAR1KCNH2IDO1
SCHEMBL267933 0.85 TAAR1 (0.61) TAAR1AOC3SIGMAR1KCNH2IDO1
SCHEMBL7535470 0.85 TAAR1 (0.56) TAAR1AOC3SIGMAR1KCNH2IDO1
SCHEMBL30520870 0.85 TAAR1 (0.61) TAAR1AOC3SIGMAR1KCNH2IDO1
SCHEMBL13933354 0.83 CA12 (0.51) AOC3HPGDHTTABCB1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153732-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2022-05-19 US disclosed
WO-2021074898-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2021-04-22 WO disclosed
US-10197914-B2 Positive photosensitive resin composition, photo-curable dry film and method for producing the same, patterning process, and laminate SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-02-05 US disclosed
US-20170255097-A1 POSITIVE PHOTOSENSITIVE RESIN COMPOSITION, PHOTO-CURABLE DRY FILM AND METHOD FOR PRODUCING THE SAME, PATTERNING PROCESS, AND LAMINATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-09-07 US disclosed
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE UNITED STATES OF AMERICA AS REPRESENTED BY SECRETARY DEPT OF HEALTH AND HUMAN SERVICE (US) 2017-05-25 US disclosed
EP-3002308-B1 SILICONE SKELETON-CONTAINING POLYMER COMPOUND AND METHOD FOR PRODUCING SAME, CHEMICALLY AMPLIFIED NEGATIVE RESIST COMPOSITION, PHOTO-CURABLE DRY FILM AND METHOD FOR PRODUCING SAME, PATTERNING PROCESS, LAYERED PRODUCT, AND SUBSTRATE SHINETSU CHEMICAL CO (JP) 2017-02-08 EP disclosed
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS GILEAD SCIENCES, INC. 2016-11-17 US disclosed
US-9452973-B2 Modulators of the relaxin receptor 1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-09-27 US disclosed
US-9034850-B2 Gonadotropin releasing hormone receptor antagonist, preparation method thereof and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2015-05-19 US disclosed
US-20150119426-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES 2015-04-30 US disclosed
US-20080125444-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-05-29 US disclosed
US-7378413-B2 2-amino-3-(alkyl)-pyrimidone derivatives SANOFI AVENTIS (FR) 2008-05-27 US disclosed
WO-2008028057-A2 SHIKIMIC ACID-DERIVED COMPOUNDS FOR INHIBITION AND DETECTION OF AURORA A-ASSOCIATED TUMORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-03-06 WO disclosed
WO-2007146695-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2007-12-21 WO disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
US-4837301-A FROM ALKALI MTEAL SULFIDES AND AROMATIC DIHALOGEN COMPOUNDS; IMPROVED CORROSION RESISTANCE BAYER AKTIENGESELLSCHAFT (DE) 1989-06-06 US disclosed
EP-0275007-A2 Process for the preparation of highly molecular, optionally branched polyarylene sulfides BAYER AG (DE) 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 (7 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-20080125444-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS CPN1, HPN, HCCS TAAR1 4253/4885AOC3 431/4885SIGMAR1 1710/4885
US-20150119426-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 TAAR1 175/4885AOC3 4242/4885SIGMAR1 613/4885
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS IDO1, IDO2, INMT TAAR1 1498/4885AOC3 2490/4885SIGMAR1 614/4885
US-20220153732-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G TAAR1 4274/4885AOC3 4061/4885SIGMAR1 3889/4885
US-10197914-B2 Positive photosensitive resin composition, photo-curable dry film and method for producing the same, patterning process, and laminate SUV39H1, JMJD6, EZH1 TAAR1 1235/4885AOC3 771/4885SIGMAR1 3741/4885
US-20070082908-A1 Bicycle pyrazole derivative DPP4, DPP7, DPP3 TAAR1 1381/4885AOC3 930/4885SIGMAR1 378/4885
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 TAAR1 175/4885AOC3 4242/4885SIGMAR1 613/4885

“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.