SCHEMBL9926871

SCHEMBL9926871

Fc1cnc(Oc2ccc3c(nnn3CC3CC3)c2Br)c(CN2CCNCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 14/20 0.40
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
SLC6A4 P31645 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
APOBEC3A P31941 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
HTR6 P50406 1/20 0.32
TDO2 P48775 1/20 0.32
GNAI3 P08754 1/20 0.32
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31

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
SCHEMBL9897185 0.90 GRM2 (0.39) GRM2
SCHEMBL9895915 0.90 GRM2 (0.39) GRM2
SCHEMBL9896145 0.90 GRM2 (0.40) GRM2CYP1A2CHRM2SLC6A4OPRD1
SCHEMBL9895282 0.89 GRM2 (0.39) GRM2
SCHEMBL9895283 0.89 GRM2 (0.39) GRM2CCNT1CDK9
SCHEMBL9895038 0.88 GRM2 (0.39) GRM2CCNT1CDK9
SCHEMBL9895972 0.87 GRM2 (0.38) GRM2CCNT1CDK9
SCHEMBL9896270 0.85 GRM2 (0.45) GRM2SLC6A4TDO2
SCHEMBL9896479 0.84 GRM2 (0.36) GRM2
SCHEMBL9897923 0.84 GRM2 (0.36) GRM2

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-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 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-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES GRM2, GRIA2, GRIK2 GRM2 1/4885CYP1A2 1135/4885CHRM2 1486/4885

“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.