SCHEMBL1323414

SCHEMBL1323414

COc1ccc(C2(C)CC(C)(C)N(C(C)=O)c3ccc(NC(=O)c4ccc(-c5ccccc5)cc4)cc32)cc1

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FSHR P23945 19/20 0.84
TP53 P04637 1/20 0.57
MAPT P10636 1/20 0.57

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
SCHEMBL1323199 0.92 FSHR (1.00) FSHR
SCHEMBL1323762 0.90 FSHR (1.00) FSHR
SCHEMBL3394213 0.90 FSHR (0.81) FSHR
SCHEMBL4601268 0.88 FSHR (0.78) FSHR
SCHEMBL6383465 0.88 FSHR (0.78) FSHR
SCHEMBL2190386 0.88 FSHR (0.85) FSHR
SCHEMBL4601263 0.87 FSHR (0.77) FSHR
SCHEMBL1323792 0.87 FSHR (1.00) FSHR
SCHEMBL1323215 0.86 FSHR (0.94) FSHR
SCHEMBL3397938 0.86 FSHR (0.76) FSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258293-B2 Tetrahydroquinoline derivatives MSD OSS B.V. (NL) 2012-09-04 US disclosed
US-20120202996-A1 TETRAHYDROQUINOLINE DERIVATIVES N.V. ORGANON (NL) 2012-08-09 US disclosed
US-8058441-B2 For control fertility, contraception, breast cancer, prostate cancer and endometriosis; modulating activity of the follicle stimulating hormone (FSH) receptor; 1-Acetyl-6-(tert-butoxycarbonyl)amino-4-phenyl-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline N.V. ORGANON (NL) 2011-11-15 US disclosed
US-20110172267-A1 TSH receptor antagonizing tetrahydroquinoline compounds N.V. ORGANON 2011-07-14 US disclosed
EP-2197445-A2 TSH RECEPTOR ANTAGONIZING TETRAHYDROQUINOLINE COMPOUNDS N.V. Organon (NL) 2010-06-23 EP disclosed
WO-2009027482-A2 TSH RECEPTOR ANTAGONIZING TETRAHYDROQUINOLINE COMPOUNDS N.V. ORGANON (NL) 2009-03-05 WO disclosed
EP-1406628-B1 TETRAHYDROQUINOLINE DERIVATIVES AKZO NOBEL NV (NL) 2006-03-08 EP disclosed
US-20040236109-A1 Tetrahydroquinoline derivatives MERCK SHARP & DOHME B.V. (NL) 2004-11-25 US 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 (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-20110172267-A1 TSH receptor antagonizing tetrahydroquinoline compounds TSHR, MC1R, TRHR FSHR 21/4885TP53 711/4885MAPT 4770/4885
US-20120202996-A1 TETRAHYDROQUINOLINE DERIVATIVES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ODC1, COX6C FSHR 1154/4885TP53 3343/4885MAPT 4540/4885
US-20040236109-A1 Tetrahydroquinoline derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, AOC2, HTR3C FSHR 1485/4885TP53 3497/4885MAPT 3883/4885

“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.