SCHEMBL5635776

SCHEMBL5635776

CC(C)Nc1c(N)ccc(SC2CC3CCC(C2)N3C)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
HTR4 Q13639 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MTOR P42345 1/20 0.30
PMP22 Q01453 1/20 0.30
KAT2B Q92831 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 0.88 CHRM1 (0.35) CHRM1SLC6A2SLC6A4HTR4MEN1
SCHEMBL5887912 0.82 HTR4 (0.33) CHRM1SLC6A2SLC6A4HTR4MEN1
SCHEMBL5635312 0.81 SLC6A2 (0.34) CHRM1SLC6A2SLC6A4MEN1KMT2A
Hydrochloric Acid SCHEMBL5634885 0.79 LMNA (0.35) CHRM1SLC6A2SLC6A4HTR4MEN1
SCHEMBL5636611 0.77 CHRM3 (0.37) CHRM1SLC6A2SLC6A4HTR4MEN1
SCHEMBL6577259 0.77 PSMB8 (0.33)
SCHEMBL5635845 0.75 HTR4 (0.40) SLC6A2SLC6A4HTR4MEN1KMT2A
SCHEMBL6576972 0.73 CYP1A2 (0.33) CHRM1SLC6A2SLC6A4DRD3SLC6A3
SCHEMBL5635326 0.71 HPGD (0.35) CHRM1SLC6A2SLC6A4MEN1KMT2A
SCHEMBL5664764 0.71 PDE7A (0.41) CHRM1SLC6A2SLC6A4DRD3SLC6A3

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 3 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

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 CHRM1 22/4885SLC6A2 46/4885SLC6A4 153/4885
US-20070054912-A1 Modulators of acetylcholine receptors CHRM3, CHRNG, CHRM5 CHRM1 17/4885SLC6A2 232/4885SLC6A4 372/4885

“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.