SCHEMBL12415415

SCHEMBL12415415

Cc1cnc(CN2CCC(C(C)(C)Cc3cccc(C(F)(F)F)c3)CC2=O)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
AVPR2 P30518 2/20 0.36
AVPR1A P37288 2/20 0.36
KCNN4 O15554 6/20 0.36
NPBWR1 P48145 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
CYP17A1 P05093 1/20 0.35
SCN1A P35498 1/20 0.34
SCN8A Q9UQD0 1/20 0.34

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
SCHEMBL12415414 0.78 GRIN1 (0.40) MAPTGRIN1GRIN2BKMT2APOLB
SCHEMBL1710683 0.77 KMT2A (0.44) MAPTKMT2APOLBKDM4EALDH1A1
SCHEMBL12415632 0.75 MAPT (0.52) MAPTKMT2APOLBKCNN4ALDH1A1
SCHEMBL12415413 0.74 GRM5 (0.44) MAPTKMT2AKCNN4ALDH1A1
SCHEMBL12415412 0.71 ALDH1A1 (0.41) KMT2APOLBALDH1A1
SCHEMBL12415411 0.68 HTT (0.41)
SCHEMBL2187144 0.68 LMNA (0.50) MAPTKMT2APOLBALDH1A1
SCHEMBL2190524 0.67 CYP3A4 (0.45) MAPTGRIN1GRIN2BKMT2APOLB
SCHEMBL2189164 0.67 CYP3A4 (0.46) ALDH1A1
SCHEMBL18997025 0.67 KMT2A (0.52) MAPTKMT2APOLBKCNN4KDM4E

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-20110172236-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CHAKRAVARTY PRASUN K 2011-07-14 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-20110172236-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TRPV1, TRPA1, CACNA1D MAPT 443/4885GRIN1 260/4885GRIN2B 98/4885

“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.