SCHEMBL5635845

SCHEMBL5635845

COC(=O)c1c(N)ccc(SC2CC3CCC(C2)N3C)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.40
CYP2D6 P10635 2/20 0.39
LMNA P02545 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR3E A5X5Y0 2/20 0.37
HTR3B O95264 2/20 0.37
HTR3A P46098 2/20 0.37
HTR3D Q70Z44 2/20 0.37
HTR3C Q8WXA8 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GMNN O75496 1/20 0.37
CYP1A2 P05177 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MTOR P42345 1/20 0.37
PMP22 Q01453 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.36
CHRNA7 P36544 1/20 0.36

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
SCHEMBL5636810 0.84 HPGD (0.47) CYP2D6LMNACYP2C19HTR3EHTR3B
Hydrochloric Acid SCHEMBL5634885 0.78 LMNA (0.35) HTR4CYP2D6LMNACYP2C19MEN1
SCHEMBL5635312 0.78 SLC6A2 (0.34) CYP2D6LMNACYP2C19MEN1KMT2A
SCHEMBL5637614 0.77 CHRM1 (0.35) HTR4CYP2D6LMNAMEN1KMT2A
SCHEMBL5636611 0.76 CHRM3 (0.37) HTR4CYP2D6LMNACYP2C19MEN1
SCHEMBL5635776 0.75 CHRM1 (0.33) HTR4CYP2D6LMNAMEN1KMT2A
SCHEMBL5887912 0.73 HTR4 (0.33) HTR4MEN1KMT2ASLC6A2SLC6A4
SCHEMBL5662202 0.69 OPRK1 (0.47) HTR4CYP2D6LMNACYP2C19HTR3E
SCHEMBL6574874 0.69 MEN1 (0.35) HTR4CYP2D6LMNACYP2C19MEN1
SCHEMBL5664764 0.69 PDE7A (0.41) TSHRSLC6A2SLC6A4SLC6A3

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 HTR4 207/4885CYP2D6 954/4885LMNA 4637/4885
US-20070054912-A1 Modulators of acetylcholine receptors CHRM3, CHRNG, CHRM5 HTR4 264/4885CYP2D6 741/4885LMNA 4860/4885

“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.