SCHEMBL2134630

SCHEMBL2134630

O=C(N[C@H]1CN2CCC1CC2)c1cccc2scnc12

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 6/20 0.58
KCNH2 Q12809 2/20 0.57

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
SCHEMBL2132754 1.00 HTR3A (0.58) HTR3AKCNH2
SCHEMBL262855 1.00 HTR3A (0.58) HTR3AKCNH2
Hydrochloric Acid SCHEMBL261222 0.99 HTR3A (0.57) HTR3AKCNH2
Hydrochloric Acid SCHEMBL260338 0.99 HTR3A (0.57) HTR3AKCNH2
Hydrochloric Acid SCHEMBL260652 0.99 HTR3A (0.57) HTR3AKCNH2
SCHEMBL263543 0.82 HTR3A (0.53) HTR3A
SCHEMBL280581 0.82 HTR3A (0.53) HTR3A
SCHEMBL280532 0.82 HTR3A (0.53) HTR3A
Hydrochloric Acid SCHEMBL260277 0.81 HTR3A (0.52) HTR3A
Hydrochloric Acid SCHEMBL260497 0.81 HTR3A (0.52) HTR3A

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-8252811-B2 Indazoles, benzothiazoles, and benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-08-28 US claimed
US-20120101094-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE (US) 2012-04-26 US claimed
US-20040132790-A1 Indazoles, benzothiazoles, and benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2004-07-08 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-20120101094-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 HTR3A 152/4885KCNH2 331/4885
US-20040132790-A1 Indazoles, benzothiazoles, and benzoisothiazoles, and preparation and uses thereof CHRNA5, CHRNA7, CHRNA3 HTR3A 166/4885KCNH2 490/4885

“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.