SCHEMBL16019790

SCHEMBL16019790

CCc1noc(C)c1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CRACR2A Q9BSW2 1/20 0.43
RAB9A P51151 2/20 0.42
EPAS1 Q99814 1/20 0.42
NPC1 O15118 1/20 0.42
STIM1 Q13586 1/20 0.42
ORAI1 Q96D31 1/20 0.42
GFER P55789 1/20 0.42
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL16019797 0.91 CYP3A4 (0.45) POLBMAPTCYP3A4CYP1A2CYP2D6
SCHEMBL14887330 0.89 CRACR2A (0.54) POLBMAPTCRACR2AEPAS1STIM1
SCHEMBL16017181 0.86 POLB (0.45) POLBMAPTCYP3A4CYP1A2CYP2C19
SCHEMBL16017180 0.85 STIM1 (0.43) POLBMAPTCYP3A4CYP1A2CYP2C19
SCHEMBL14887574 0.84 CYP3A4 (0.44) POLBMAPTCYP3A4CYP1A2CYP2D6
SCHEMBL16019799 0.83 STIM1 (0.43) POLBMAPTCYP3A4CRACR2ARAB9A
SCHEMBL16017189 0.82 STIM1 (0.51) POLBCYP3A4CYP1A2CYP2C19CRACR2A
SCHEMBL16017209 0.81 RAB9A (0.47) POLBMAPTCYP3A4CYP1A2CYP2C19
SCHEMBL16017204 0.81 STIM1 (0.43) POLBCYP3A4CYP1A2CYP2C19CRACR2A
SCHEMBL16008936 0.81 STIM1 (0.52) POLBMAPTCYP3A4CYP1A2CYP2C19

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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 POLB 4774/4885MAPT 1478/4885CYP3A4 4329/4885

“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.