SCHEMBL5636611

SCHEMBL5636611

CN1C2CCC1CC(Sc1ccc(N)c(CO)c1Cl)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 5/20 0.37
CHRM1 P11229 4/20 0.37
CHRM2 P08172 3/20 0.37
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2D6 P10635 3/20 0.32
LMNA P02545 2/20 0.32
CYP2C19 P33261 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HTR4 Q13639 1/20 0.31
MAPT P10636 2/20 0.30
CYP1A2 P05177 2/20 0.30
CYP2C9 P11712 2/20 0.30
CYP3A4 P08684 1/20 0.30
MTOR P42345 1/20 0.30
PMP22 Q01453 1/20 0.30
TSHR P16473 1/20 0.30

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
Hydrochloric Acid SCHEMBL5634885 0.82 LMNA (0.35) CHRM1MEN1KMT2ACYP2D6LMNA
SCHEMBL5635312 0.82 SLC6A2 (0.34) CHRM1MEN1KMT2ACYP2D6LMNA
SCHEMBL5637614 0.79 CHRM1 (0.35) CHRM1MEN1KMT2ACYP2D6LMNA
SCHEMBL5635776 0.77 CHRM1 (0.33) CHRM1MEN1KMT2ACYP2D6LMNA
SCHEMBL5887912 0.76 HTR4 (0.33) CHRM1MEN1KMT2ASLC6A2SLC6A4
SCHEMBL5635845 0.76 HTR4 (0.40) MEN1KMT2ACYP2D6LMNACYP2C19
SCHEMBL6574874 0.72 MEN1 (0.35) CHRM1MEN1KMT2ACYP2D6LMNA
SCHEMBL5664764 0.72 PDE7A (0.41) CHRM1SLC6A2SLC6A4DRD3SLC6A3
SCHEMBL14573390 0.72 PDE7A (0.41) CHRM1SLC6A2SLC6A4DRD3SLC6A3
SCHEMBL6576972 0.71 CYP1A2 (0.33) CHRM3CHRM1CHRM2CYP2D6LMNA

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 CHRM3 1/4885CHRM1 22/4885CHRM2 17/4885
US-20070054912-A1 Modulators of acetylcholine receptors CHRM3, CHRNG, CHRM5 CHRM3 1/4885CHRM1 17/4885CHRM2 6/4885

“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.