SCHEMBL5634880

SCHEMBL5634880

Cc1c(SC2CC3CCC(C2)N3C)ccc2[nH]c(=O)oc12

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.32
ATAD2 Q6PL18 1/20 0.32
HTR3A P46098 2/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
NOS1 P29475 2/20 0.31
NOS2 P35228 1/20 0.31
HTR4 Q13639 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
SLC6A2 P23975 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
SCHEMBL14573438 1.00 BRD4 (0.32) BRD4ATAD2HTR3AHTR3EHTR3B
SCHEMBL14573420 0.87 CYP2D6 (0.32) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL5636728 0.86 LMNA (0.34) SLC6A3
SCHEMBL4864470 0.83 MEN1 (0.37) BRD4ATAD2NOS1NOS2
SCHEMBL5637988 0.76 NOS1 (0.44) NOS1NOS2
SCHEMBL14573431 0.76 NOS1 (0.44) NOS1NOS2
SCHEMBL14573419 0.73 KMO (0.47) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL14573421 0.73 PSMB8 (0.36) SLC6A3
SCHEMBL5635942 0.73 PSMB8 (0.36) SLC6A3
Hydrochloric Acid SCHEMBL5636783 0.72 KMO (0.46) HTR3AHTR3EHTR3BHTR3DHTR3C

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 BRD4 1012/4885ATAD2 1442/4885HTR3A 218/4885
US-20070054912-A1 Modulators of acetylcholine receptors CHRM3, CHRNG, CHRM5 BRD4 1262/4885ATAD2 3429/4885HTR3A 250/4885

“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.