SCHEMBL1323009

SCHEMBL1323009

COc1ccccc1C(=O)Nc1ccc2c(c1)C(C)(c1ccccc1)CC(C)(C)N2C(C)=O

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FSHR P23945 18/20 0.76
TSHR P16473 1/20 0.56
MEN1 O00255 1/20 0.55
ADRB2 P07550 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL1322994 0.92 FSHR (0.75) FSHRTSHRMEN1ADRB2KMT2A
SCHEMBL1322266 0.89 FSHR (0.71) FSHRTSHRMEN1ADRB2KMT2A
SCHEMBL1322879 0.89 FSHR (0.68) FSHRTSHRMEN1ADRB2KMT2A
SCHEMBL1322923 0.88 FSHR (0.69) FSHRTSHR
SCHEMBL1322293 0.87 FSHR (0.80) FSHRTSHRMEN1ADRB2KMT2A
SCHEMBL1323748 0.87 FSHR (0.72) FSHRTSHRMEN1ADRB2KMT2A
SCHEMBL1323666 0.85 FSHR (0.88) FSHRTSHRMEN1ADRB2KMT2A
SCHEMBL1322303 0.85 FSHR (0.76) FSHRTSHRMEN1ADRB2KMT2A
SCHEMBL1323575 0.85 FSHR (0.65) FSHRTSHRMEN1ADRB2KMT2A
SCHEMBL1323268 0.85 FSHR (0.68) 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 5 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
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 (2 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-20120202996-A1 TETRAHYDROQUINOLINE DERIVATIVES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ODC1, COX6C FSHR 1154/4885TSHR 412/4885MEN1 2716/4885
US-20040236109-A1 Tetrahydroquinoline derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, AOC2, HTR3C FSHR 1485/4885TSHR 725/4885MEN1 2494/4885

“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.