SCHEMBL5662202

SCHEMBL5662202

CN1C2CCC1CC(Sc1ccc(C(N)=O)cc1Cl)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.47
OPRM1 P35372 4/20 0.45
KCNH2 Q12809 3/20 0.45
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP2D6 P10635 4/20 0.41
LMNA P02545 1/20 0.41
CYP2C19 P33261 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
GMNN O75496 1/20 0.40
CYP1A2 P05177 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MTOR P42345 1/20 0.40
PMP22 Q01453 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL5635580 0.80 CHRM1 (0.38) KMT2AMEN1CYP2D6LMNACYP2C19
SCHEMBL14573385 0.80 CHRM1 (0.38) KMT2AMEN1CYP2D6LMNACYP2C19
SCHEMBL14573396 0.80 CHRM1 (0.38) KMT2AMEN1CYP2D6LMNACYP2C19
SCHEMBL14573390 0.80 PDE7A (0.41) TSHRMAPT
SCHEMBL5664764 0.80 PDE7A (0.41) TSHRMAPT
SCHEMBL14573363 0.79 OPRM1 (0.47) OPRK1OPRM1KCNH2KMT2AMEN1
SCHEMBL5636317 0.79 SLC6A2 (0.39) CYP2D6CYP1A2TSHR
SCHEMBL5635545 0.79 OPRM1 (0.47) OPRK1OPRM1KCNH2KMT2AMEN1
SCHEMBL14573360 0.77 OPRM1 (0.67) OPRK1OPRM1KCNH2KMT2AMEN1
SCHEMBL5636950 0.77 OPRM1 (0.67) OPRK1OPRM1KCNH2KMT2AMEN1

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 OPRK1 70/4885OPRM1 103/4885KCNH2 518/4885
US-20070054912-A1 Modulators of acetylcholine receptors CHRM3, CHRNG, CHRM5 OPRK1 51/4885OPRM1 43/4885KCNH2 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.