SCHEMBL12415414

SCHEMBL12415414

Cc1cnc(N2CC[C@@H](C(C)(C)Cc3cccc(C(F)(F)F)c3)CC2=O)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.40
GRIN2B Q13224 3/20 0.40
KCNN4 O15554 7/20 0.37
P2RX7 Q99572 1/20 0.35
MCHR1 Q99705 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPY5R Q15761 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR5 Q9H228 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
SCHEMBL12415413 0.82 GRM5 (0.44) KCNN4P2RX7MCHR1MAPTKMT2A
SCHEMBL12415415 0.78 MAPT (0.39) GRIN1GRIN2BKCNN4MAPTKMT2A
SCHEMBL2190611 0.75 CYP3A4 (0.47) ALDH1A1
SCHEMBL1728213 0.75 CYP3A4 (0.47) ALDH1A1
SCHEMBL1710957 0.75 CYP3A4 (0.47) ALDH1A1
SCHEMBL12415412 0.72 ALDH1A1 (0.41) P2RX7KMT2APOLBALDH1A1
SCHEMBL12415632 0.69 MAPT (0.52) KCNN4MAPTKMT2APOLBRAB9A
SCHEMBL12415411 0.68 HTT (0.41)
SCHEMBL2187703 0.67 CACNA1B (0.43) MCHR1ALDH1A1
SCHEMBL2188512 0.67 CACNA1B (0.43) MCHR1ALDH1A1

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 GRIN1 260/4885GRIN2B 98/4885KCNN4 74/4885

“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.