SCHEMBL5637501

SCHEMBL5637501

CN1C2CCC1CC(Sc1cccc(CO)c1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 0.48
KCNH2 Q12809 1/20 0.48
DDB1 Q16531 2/20 0.45
CRBN Q96SW2 2/20 0.45
CHRM3 P20309 9/20 0.38
CHRM2 P08172 7/20 0.38
CHRM1 P11229 7/20 0.38
ALDH1A1 P00352 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2C P18825 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL14573369 1.00 OPRM1 (0.48) OPRM1OPRK1KCNH2DDB1CRBN
SCHEMBL19277423 0.80 DDB1 (0.55) OPRM1OPRK1KCNH2DDB1CRBN
SCHEMBL30288394 0.80 DDB1 (0.55) OPRM1OPRK1KCNH2DDB1CRBN
SCHEMBL14573367 0.80 KMT2A (0.45) OPRM1OPRK1KCNH2DDB1CRBN
SCHEMBL5634867 0.78 OPRM1 (0.43) OPRM1OPRK1KCNH2DDB1CRBN
SCHEMBL5635602 0.78 OPRK1 (0.43) OPRM1OPRK1KCNH2CHRM3CHRM2
SCHEMBL5635606 0.78 OPRK1 (0.43) OPRM1OPRK1KCNH2CHRM3CHRM2
SCHEMBL925026 0.77 DDB1 (0.52) OPRM1OPRK1KCNH2DDB1CRBN
SCHEMBL5634899 0.77 SLC6A2 (0.50) OPRM1OPRK1KCNH2CHRM3CHRM2
SCHEMBL5634904 0.77 SLC6A2 (0.50) OPRM1OPRK1KCNH2CHRM3CHRM2

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.