SCHEMBL768894

SCHEMBL768894

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.41
RHOC P08134 4/20 0.39
RHOA P61586 4/20 0.39
EPHX2 P34913 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TACR2 P21452 1/20 0.37
USP2 O75604 6/20 0.36
CYP3A4 P08684 4/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 2/20 0.36
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
TSHR P16473 2/20 0.36
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 2/20 0.35

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
SCHEMBL768895 1.00 RORC (0.41) RORCRHOCRHOAEPHX2SMN1; SMN2
SCHEMBL3979429 0.92 RHOC (0.39) RHOCRHOAEPHX2SMN1; SMN2TACR2
SCHEMBL3979427 0.92 RHOC (0.39) RHOCRHOAEPHX2SMN1; SMN2TACR2
SCHEMBL3985802 0.85 TACR2 (0.36) TACR2USP2CYP3A4CYP2D6CYP1A2
SCHEMBL3985800 0.85 TACR2 (0.36) TACR2USP2CYP3A4CYP2D6CYP1A2
SCHEMBL3979698 0.85 TACR2 (0.42) TACR2USP2CYP3A4HSD17B10CYP2D6
SCHEMBL3979699 0.85 TACR2 (0.42) TACR2USP2CYP3A4HSD17B10CYP2D6
SCHEMBL4631148 0.84 TACR2 (0.46) TACR2USP2CYP3A4HSD17B10CYP2D6
SCHEMBL3980108 0.83 ALDH1A1 (0.37) RHOASMN1; SMN2TACR2USP2CYP3A4
SCHEMBL3984404 0.83 ALDH1A1 (0.37) RHOASMN1; SMN2TACR2USP2CYP3A4

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 2 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

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 RORC 1441/4885RHOC 3947/4885RHOA 4481/4885

“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.