SCHEMBL16660100

SCHEMBL16660100

CC(=O)C(C)(C)C(=O)c1cc(C(F)(F)F)n(-c2ccc(Br)cn2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.44
CNR2 P34972 4/20 0.44
EPHX2 P34913 2/20 0.35
CHRNA7 P36544 1/20 0.35
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAPT P10636 1/20 0.33
APP P05067 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
GAA P10253 1/20 0.32
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL15529125 0.88 CNR1 (0.44) CNR1CNR2EPHX2CHRNA7ALDH1A1
SCHEMBL15528914 0.85 CNR1 (0.42) CNR1CNR2EPHX2CHRNA7NPC1
SCHEMBL15528897 0.83 ALDH1A1 (0.46) CNR1CNR2EPHX2ALDH1A1KDM4E
SCHEMBL15529072 0.82 CNR1 (0.45) CNR1CNR2EPHX2CHRNA7ALDH1A1
SCHEMBL15528849 0.82 CNR1 (0.43) CNR1CNR2EPHX2CHRNA7ALDH1A1
SCHEMBL15529744 0.79 CNR1 (0.46) CNR1CNR2EPHX2CHRNA7ALDH1A1
SCHEMBL15529256 0.79 CNR1 (0.50) CNR1CNR2EPHX2CHRNA7ALDH1A1
SCHEMBL15529045 0.79 GAA (0.47) CNR1CNR2ALDH1A1KDM4ENPC1
SCHEMBL15529383 0.78 CNR1 (0.71) CNR1CNR2
SCHEMBL15528874 0.78 CNR1 (0.40) CNR1CNR2EPHX2CHRNA7ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-10-20 US disclosed
US-9409898-B2 Substituted pyrazole compounds as CRAC modulators LUPIN LIMITED (IN) 2016-08-09 US disclosed
US-20150111925-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2015-04-23 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 (2 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-20150111925-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 CNR1 194/4885CNR2 181/4885EPHX2 4022/4885
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 CNR1 194/4885CNR2 181/4885EPHX2 4022/4885

“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.