SCHEMBL17366556

SCHEMBL17366556

C[S+]([O-])c1cccc(C2=CCNCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.57
SIGMAR1 Q99720 2/20 0.56
QDPR P09417 3/20 0.48
HTR6 P50406 2/20 0.40
HTR7 P34969 1/20 0.40
KHK P50053 2/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL4790435 0.76 HTR2C (0.66) HTR2CSIGMAR1QDPRHTR6HTR7
SCHEMBL30431801 0.76 HTR2C (0.66) HTR2CSIGMAR1QDPRHTR6HTR7
Hydrochloric Acid SCHEMBL9311920 0.75 HTR2C (0.67) HTR2CSIGMAR1QDPRHTR6HTR7
SCHEMBL4791120 0.74 SIGMAR1 (0.79) HTR2CSIGMAR1QDPRHTR6HTR7
SCHEMBL10162462 0.73 MAT2A (0.33)
SCHEMBL29914651 0.73 HTR2C (0.66) HTR2CSIGMAR1QDPR
SCHEMBL21228136 0.73 HTR2C (0.66) HTR2CSIGMAR1QDPR
Hydrochloric Acid SCHEMBL4793458 0.73 HTR2C (0.79) HTR2CSIGMAR1QDPRHTR6HTR7
SCHEMBL4510248 0.73 HTR2C (1.00) HTR2CSIGMAR1QDPRHTR6HTR7
SCHEMBL904011 0.73 HTR2C (0.66) HTR2CSIGMAR1QDPRHTR6HTR7

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-20150374677-A1 ANALOGS OF PRIDOPIDINE, THEIR PREPARATION AND USE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2015-12-31 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-20150374677-A1 ANALOGS OF PRIDOPIDINE, THEIR PREPARATION AND USE QDPR, DRD2, OPRD1 HTR2C 69/4885SIGMAR1 14/4885QDPR 1/4885

“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.