SCHEMBL15528874

SCHEMBL15528874

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.40
CNR2 P34972 3/20 0.40
EPHX2 P34913 1/20 0.34
MGAT2 Q10469 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MLYCD O95822 1/20 0.33
CHRNA7 P36544 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
GPBAR1 Q8TDU6 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
SCHEMBL15528897 0.81 ALDH1A1 (0.46) CNR1CNR2EPHX2ALDH1A1GAA
SCHEMBL15529072 0.80 CNR1 (0.45) CNR1CNR2EPHX2MGAT2MEN1
SCHEMBL15528849 0.80 CNR1 (0.43) CNR1CNR2EPHX2KMT2ACHRNA7
SCHEMBL15529045 0.79 GAA (0.47) CNR1CNR2MEN1KMT2AALDH1A1
SCHEMBL16660100 0.78 CNR1 (0.44) CNR1CNR2EPHX2MGAT2CHRNA7
SCHEMBL15529256 0.77 CNR1 (0.50) CNR1CNR2EPHX2MEN1KMT2A
SCHEMBL16660116 0.76 TDP1 (0.36) MEN1KMT2AAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL30882605 0.76 CNR1 (0.46) CNR1CNR2MEN1KMT2AMLYCD
SCHEMBL15529125 0.75 CNR1 (0.44) CNR1CNR2EPHX2MGAT2CHRNA7
SCHEMBL15529744 0.75 CNR1 (0.46) CNR1CNR2EPHX2MEN1KMT2A

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 5 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
EP-2844656-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS Lupin Limited (IN) 2015-03-11 EP disclosed
WO-2013164773-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2013-11-07 WO 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.