SCHEMBL5634825

SCHEMBL5634825

CN1C2C=CC1CC(Sc1ccc([N+](=O)[O-])c(CN)c1Cl)C2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL4865349 0.82 NOS3 (0.42) HTR2AHTR2CHTR2BHPGDSMN1; SMN2
SCHEMBL5635808 0.81 TDP1 (0.30)
SCHEMBL5634829 0.81 HPGD (0.35) HTR2AHTR2CHTR2BHPGD
SCHEMBL5635954 0.71 HTR2A (0.36) HTR2AHTR2CHTR2BHPGDSMN1; SMN2
SCHEMBL5635950 0.71 HTR2A (0.36) HTR2AHTR2CHTR2BHPGDSMN1; SMN2
SCHEMBL5636994 0.70 POLB (0.37) HTR2AHTR2CHTR2BHPGDNOS3
SCHEMBL5635326 0.68 HPGD (0.35) HTR2AHTR2CHTR2BHPGDNOS3
SCHEMBL278621 0.66 TDP1 (0.60)
SCHEMBL5636810 0.65 HPGD (0.47) HPGD
Hydrochloric Acid SCHEMBL1197124 0.65 TDP1 (0.58)

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 HTR2A 311/4885HTR2C 310/4885HTR2B 335/4885
US-20070054912-A1 Modulators of acetylcholine receptors CHRM3, CHRNG, CHRM5 HTR2A 326/4885HTR2C 322/4885HTR2B 324/4885

“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.