SCHEMBL2193457

SCHEMBL2193457

CC(=O)N1CC=C(C)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 10/20 0.57
LMNA P02545 1/20 0.47
HSD17B3 P37058 4/20 0.44
CES1 P23141 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KCNN4 O15554 1/20 0.39
KCNA3 P22001 1/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL18407434 0.79 NOTUM (0.53) NOTUMHSD17B3CES1CYP2D6CYP2C9
SCHEMBL20125004 0.74 LMNA (0.38) NOTUMLMNACES1KDM4EALDH1A1
SCHEMBL21065872 0.73 NOTUM (0.54) NOTUMLMNAHSD17B3KCNN4KCNA3
SCHEMBL30003296 0.73 NOTUM (1.00) NOTUMLMNAHSD17B3CES1CYP2D6
SCHEMBL1048074 0.73 NOTUM (1.00) NOTUMLMNAHSD17B3CES1CYP2D6
SCHEMBL4432600 0.72 CES1 (0.35) NOTUMLMNACES1KDM4EALDH1A1
SCHEMBL29738286 0.72 CES1 (0.35) NOTUMLMNACES1KDM4EALDH1A1
SCHEMBL25963738 0.71 NOTUM (0.60) NOTUMHSD17B3KDM4E
Bromide SCHEMBL28230837 0.71 CA12 (0.40) LMNACYP2D6CYP2C9KDM4EALDH1A1
Iodide SCHEMBL27878012 0.71 CES1 (0.34) NOTUMLMNACES1KDM4EALDH1A1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796678-B2 Method for manufacturing optically active compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-24 US disclosed
US-9796678-B2 Method for manufacturing optically active compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-24 US disclosed
EP-2197445-B1 TSH RECEPTOR ANTAGONIZING TETRAHYDROQUINOLINE COMPOUNDS MERCK SHARP & DOHME (NL) 2017-04-19 EP disclosed
US-20170022162-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-01-26 US disclosed
US-9174940-B2 TSH receptor antagonizing tetrahydroquinoline compounds MERCK SHARP & DOHME B.V. (NL) 2015-11-03 US disclosed
US-20110172267-A1 TSH receptor antagonizing tetrahydroquinoline compounds N.V. ORGANON 2011-07-14 US disclosed
US-7858794-B2 Tetrahydroquinoline derivatives N.V. ORGANON (NL) 2010-12-28 US disclosed
US-7858794-B2 Tetrahydroquinoline derivatives N.V. ORGANON (NL) 2010-12-28 US disclosed
US-7858794-B2 Tetrahydroquinoline derivatives N.V. ORGANON (NL) 2010-12-28 US disclosed
US-7674909-B2 Biphenyl-4-carboxylic acid {1-acetyl-4-[4-(2-dimethylammo-ethoxy-phenyl]-2,2,4-trimethyl-1,2,3,4-tetrahydro-quinolin-6-yl}-amide; fertility regulation; follicle stimulating hormone (FSH) N.V. ORGANON (NL) 2010-03-09 US disclosed
EP-1578726-B1 TETRAHYDROQUINOLINE DERIVATIVES ORGANON NV (NL) 2009-02-25 EP disclosed
EP-1578726-B1 TETRAHYDROQUINOLINE DERIVATIVES ORGANON NV (NL) 2009-02-25 EP disclosed
EP-1578727-B1 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS FSH RECEPTOR MODULATORS ORGANON NV (NL) 2008-04-16 EP disclosed
US-20060167047-A1 Tetrahydorquinoline derivatives and their use as fsh receptor modulators MERCK SHARP & DOHME B.V. (NL) 2006-07-27 US disclosed
US-20060142334-A1 Tetrahydroquinoline derivatives MERCK SHARP & DOHME B.V. (NL) 2006-06-29 US disclosed
EP-1578727-A2 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS FSH RECEPTOR MODULATORS Akzo Nobel N.V. (NL) 2005-09-28 EP disclosed
WO-2004056779-A2 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS FSH RECEPTOR MODULATORS AKZO NOBEL N.V. (NL) 2004-07-08 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-20060142334-A1 Tetrahydroquinoline derivatives GNRHR, KCNH3, HCAR3 NOTUM 4283/4885LMNA 2156/4885HSD17B3 226/4885
US-20110172267-A1 TSH receptor antagonizing tetrahydroquinoline compounds TSHR, MC1R, TRHR NOTUM 4079/4885LMNA 1653/4885HSD17B3 2350/4885
US-20170022162-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE COMPOUND C9, C5, PRMT7 NOTUM 1196/4885LMNA 3744/4885HSD17B3 622/4885
US-20060167047-A1 Tetrahydorquinoline derivatives and their use as fsh receptor modulators FSHR, GNRHR, LHCGR NOTUM 3996/4885LMNA 4010/4885HSD17B3 191/4885

“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.