SCHEMBL380714

SCHEMBL380714

O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCO[C@@](CCO)(c2ccc(F)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 14/20 0.41
TACR2 P21452 1/20 0.41
CYP3A4 P08684 12/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 6/20 0.40
CYP2C9 P11712 5/20 0.40
CYP1A2 P05177 5/20 0.40
HIF1A Q16665 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 5/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL380713 1.00 USP2 (0.41) USP2TACR2CYP3A4HSD17B10TSHR
SCHEMBL4631280 0.92 TACR2 (0.49) USP2TACR2CYP3A4HSD17B10TSHR
SCHEMBL380927 0.90 USP2 (0.40) USP2CYP3A4HSD17B10TSHRCYP2C9
SCHEMBL380926 0.90 USP2 (0.40) USP2CYP3A4HSD17B10TSHRCYP2C9
SCHEMBL4864462 0.88 USP2 (0.42) USP2CYP3A4HSD17B10TSHRCYP2C9
SCHEMBL5115024 0.88 USP2 (0.42) USP2CYP3A4HSD17B10TSHRCYP2C9
SCHEMBL5106731 0.83 TACR2 (0.39) USP2TACR2CYP3A4TSHRCYP2C9
SCHEMBL768895 0.82 RORC (0.41) USP2TACR2CYP3A4HSD17B10TSHR
SCHEMBL768894 0.82 RORC (0.41) USP2TACR2CYP3A4HSD17B10TSHR
SCHEMBL4631148 0.79 TACR2 (0.46) USP2TACR2CYP3A4HSD17B10TSHR

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-8476253-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
EP-2409977-A1 AMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-25 EP 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-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 USP2 2694/4885TACR2 3/4885CYP3A4 1866/4885

“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.