SCHEMBL3524943

SCHEMBL3524943

CC(=O)N1CCC(C)(c2ccccc2)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
ADRB2 P07550 1/20 0.58
KMT2A Q03164 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
NOTUM Q6P988 7/20 0.55
TSHR P16473 3/20 0.50
FSHR P23945 2/20 0.48
TP53 P04637 3/20 0.48
MAPT P10636 1/20 0.48
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
BRD4 O60885 1/20 0.43

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
SCHEMBL2195627 0.89 NOTUM (0.50) MEN1ADRB2KMT2ANPSR1NOTUM
SCHEMBL2193665 0.84 FSHR (0.63) MEN1ADRB2KMT2ANPSR1NOTUM
SCHEMBL10560315 0.81 NOTUM (0.71) NOTUMBRD4
SCHEMBL3655121 0.81 FSHR (0.62) TSHRFSHRTP53MAPT
SCHEMBL3524667 0.81 TSHR (0.49) MEN1ADRB2KMT2ANPSR1TSHR
SCHEMBL3522467 0.77 FSHR (0.44) MEN1ADRB2KMT2ANPSR1NOTUM
SCHEMBL17209732 0.75 FSHR (0.53) NOTUMTSHRFSHRBRD4
SCHEMBL2196163 0.74 TSHR (0.61) TSHRFSHRTP53LMNA
SCHEMBL2194582 0.74 FSHR (0.61) TSHRFSHRMAPT
SCHEMBL2194212 0.74 TSHR (0.61) TSHRFSHRTP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1578726-B1 TETRAHYDROQUINOLINE DERIVATIVES ORGANON NV (NL) 2009-02-25 EP disclosed
US-20060142334-A1 Tetrahydroquinoline derivatives MERCK SHARP & DOHME B.V. (NL) 2006-06-29 US disclosed
EP-1578726-A2 TETRAHYDROQUINOLINE DERIVATIVES Akzo Nobel N.V. (NL) 2005-09-28 EP disclosed
WO-2004056780-A2 TETRAHYDROQUINOLINE DERIVATIVES 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 (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-20060142334-A1 Tetrahydroquinoline derivatives GNRHR, KCNH3, HCAR3 MEN1 2286/4885ADRB2 602/4885KMT2A 794/4885
US-20110172267-A1 TSH receptor antagonizing tetrahydroquinoline compounds TSHR, MC1R, TRHR MEN1 74/4885ADRB2 279/4885KMT2A 1737/4885

“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.