SCHEMBL4915500

SCHEMBL4915500

COc1cccc2c(C(=O)N[C@@H]3CN4CCCCCCCCCCCCCCCCCCCCCC3CC4)nsc12

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.58
HTR3A P46098 4/20 0.51
KCNH2 Q12809 1/20 0.51
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46

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
SCHEMBL260649 0.94 CHRNA7 (0.64) CHRNA7HTR3AKCNH2HTR3EHTR3B
SCHEMBL261359 0.94 CHRNA7 (0.64) CHRNA7HTR3AKCNH2HTR3EHTR3B
SCHEMBL261361 0.94 CHRNA7 (0.64) CHRNA7HTR3AKCNH2HTR3EHTR3B
Hydrochloric Acid SCHEMBL492406 0.93 CHRNA7 (0.63) CHRNA7HTR3AKCNH2HTR3EHTR3B
SCHEMBL12713921 0.85 CHRNA7 (0.43) CHRNA7HTR3AKCNH2
SCHEMBL12713951 0.85 CHRNA7 (0.43) CHRNA7HTR3AKCNH2
SCHEMBL492009 0.82 HTR3A (0.51) CHRNA7HTR3AKCNH2HTR3EHTR3B
SCHEMBL492869 0.82 HTR3A (0.51) CHRNA7HTR3AKCNH2HTR3EHTR3B
SCHEMBL12678110 0.81 CHRNA7 (0.53) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL4875566 0.79 CHRNA7 (0.56) CHRNA7HTR3AHTR3EHTR3BHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080154037-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2008-06-26 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 (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-20080154037-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 CHRNA7 1/4885HTR3A 152/4885KCNH2 331/4885

“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.