SCHEMBL5635545

SCHEMBL5635545

CN1C2CCC1CC(Sc1ccc(C(N)=O)cc1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.47
OPRK1 P41145 2/20 0.47
KCNH2 Q12809 1/20 0.47
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CYP2D6 P10635 4/20 0.41
CYP2C19 P33261 2/20 0.41
LMNA P02545 1/20 0.41
HTR3E A5X5Y0 2/20 0.40
HTR3B O95264 2/20 0.40
HTR3A P46098 2/20 0.40
HTR3D Q70Z44 2/20 0.40
HTR3C Q8WXA8 2/20 0.40
CHRNA7 P36544 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.39
CHRM3 P20309 1/20 0.39
OPRD1 P41143 2/20 0.39
CYP1A2 P05177 1/20 0.37
NR1I2 O75469 1/20 0.37

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
SCHEMBL14573363 1.00 OPRM1 (0.47) OPRM1OPRK1KCNH2KMT2AMEN1
SCHEMBL5636950 0.83 OPRM1 (0.67) OPRM1OPRK1KCNH2KMT2AMEN1
SCHEMBL14573360 0.83 OPRM1 (0.67) OPRM1OPRK1KCNH2KMT2AMEN1
SCHEMBL5887642 0.83 MEN1 (0.49) OPRM1KMT2AMEN1CYP2D6CYP2C19
SCHEMBL5636307 0.80 SLC6A2 (0.40) L3MBTL1
SCHEMBL5636304 0.80 SLC6A2 (0.40) L3MBTL1
SCHEMBL15486377 0.79 PARP10 (0.44) OPRM1OPRK1KCNH2KMT2ACYP2C19
SCHEMBL5662202 0.79 OPRK1 (0.47) OPRM1OPRK1KCNH2KMT2AMEN1
SCHEMBL1431809 0.78 L3MBTL3 (0.43) OPRM1OPRK1KCNH2KMT2AMEN1
SCHEMBL1431808 0.78 L3MBTL3 (0.43) OPRM1OPRK1KCNH2KMT2AMEN1

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-20070054912-A1 Modulators of acetylcholine receptors ASTLES PETER C 2007-03-08 US disclosed
US-7148236-B2 Modulators of acetylcholine receptors MERCK & CO., INC. (US) 2006-12-12 US disclosed
US-20050182088-A1 Modulators of acetylcholine receptors MERCK SHARP & DOHME CORP. 2005-08-18 US disclosed
EP-1472248-A1 MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2004-11-03 EP disclosed
WO-2003062235-A1 MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2003-07-31 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-20050182088-A1 Modulators of acetylcholine receptors CHRM3, CHRNG, CHRM5 OPRM1 103/4885OPRK1 70/4885KCNH2 518/4885
US-20070054912-A1 Modulators of acetylcholine receptors CHRM3, CHRNG, CHRM5 OPRM1 43/4885OPRK1 51/4885KCNH2 655/4885

“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.