SCHEMBL5635602

SCHEMBL5635602

CN1[C@@H]2CC[C@H]1C[C@H](Sc1cccc(N)c1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.43
OPRM1 P35372 2/20 0.43
KCNH2 Q12809 2/20 0.43
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
ADRA2C P18825 2/20 0.35
CHRM3 P20309 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2A P08913 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
DRD1 P21728 1/20 0.35
HRH2 P25021 1/20 0.35
ADRA1D P25100 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL5635606 1.00 OPRK1 (0.43) OPRK1OPRM1KCNH2SLC6A2SLC6A3
SCHEMBL14573367 0.83 KMT2A (0.45) OPRK1OPRM1KCNH2SLC6A2SLC6A3
SCHEMBL5634867 0.82 OPRM1 (0.43) OPRK1OPRM1KCNH2SLC6A2SLC6A3
SCHEMBL5636304 0.81 SLC6A2 (0.40) SLC6A2SLC6A3SLC6A4HTR6
SCHEMBL5636307 0.81 SLC6A2 (0.40) SLC6A2SLC6A3SLC6A4HTR6
SCHEMBL5634899 0.80 SLC6A2 (0.50) OPRK1OPRM1KCNH2SLC6A2SLC6A3
SCHEMBL5634904 0.80 SLC6A2 (0.50) OPRK1OPRM1KCNH2SLC6A2SLC6A3
SCHEMBL5636476 0.79 DDB1 (0.46) OPRK1OPRM1KCNH2SLC6A2SLC6A3
SCHEMBL5636477 0.79 DDB1 (0.46) OPRK1OPRM1KCNH2SLC6A2SLC6A3
SCHEMBL14573359 0.79 DDB1 (0.46) OPRK1OPRM1KCNH2SLC6A2SLC6A3

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.