SCHEMBL5887912

SCHEMBL5887912

CCCNc1c(N)ccc(SC2CC3CCC(C2)N3C)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM1 P11229 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
CNR2 P34972 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL5637614 0.84 CHRM1 (0.35) HTR4MEN1KMT2ACHRM1SLC6A2
SCHEMBL5635776 0.82 CHRM1 (0.33) HTR4MEN1KMT2ACHRM1SLC6A2
SCHEMBL5635312 0.78 SLC6A2 (0.34) MEN1KMT2ACHRM1SLC6A2SLC6A4
SCHEMBL5636611 0.76 CHRM3 (0.37) HTR4MEN1KMT2ACHRM1SLC6A2
Hydrochloric Acid SCHEMBL5634885 0.76 LMNA (0.35) HTR4MEN1KMT2ACHRM1SLC6A2
SCHEMBL5635845 0.73 HTR4 (0.40) HTR4MEN1KMT2ASLC6A2SLC6A4
SCHEMBL6577259 0.72 PSMB8 (0.33)
SCHEMBL6574874 0.71 MEN1 (0.35) HTR4MEN1KMT2ACHRM1SLC6A2
SCHEMBL5635326 0.69 HPGD (0.35) MEN1KMT2ACHRM1SLC6A2SLC6A4
SCHEMBL5664764 0.69 PDE7A (0.41) CHRM1SLC6A2SLC6A4SLC6A3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 HTR4 207/4885MEN1 3951/4885KMT2A 3520/4885

“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.