SCHEMBL17868385

SCHEMBL17868385

C[C@@H]([C@H]1Cc2cc(F)ccc2O1)N1CCN(C(=O)COC2CCC(Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.37
ENPP2 Q13822 1/20 0.36
CYP3A4 P08684 2/20 0.36
CES2 O00748 1/20 0.36
ABCB11 O95342 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
TBXA2R P21731 1/20 0.36
AADAC P22760 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADRA1A P35348 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL20262101 1.00 AR (0.37) ARENPP2CYP3A4CES2ABCB11
SCHEMBL15750256 1.00 AR (0.37) ARENPP2CYP3A4CES2ABCB11
SCHEMBL15708002 1.00 AR (0.37) ARENPP2CYP3A4CES2ABCB11
SCHEMBL15708003 1.00 AR (0.37) ARENPP2CYP3A4CES2ABCB11
SCHEMBL15724812 0.93 AR (0.36) ARENPP2CYP3A4CES2ABCB11
SCHEMBL15727731 0.93 STAT3 (0.39) ARENPP2CYP3A4CES2ABCB11
SCHEMBL23336293 0.89 ENPP2 (0.35) ARENPP2STAT3
SCHEMBL15724810 0.89 ENPP2 (0.35) ARENPP2STAT3
SCHEMBL15724680 0.87 ENPP2 (0.38) ARENPP2TMEM97
SCHEMBL15724688 0.87 ENPP2 (0.40) ARENPP2CYP3A4CES2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3428162-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF Merial Inc. (US) 2019-01-16 EP disclosed
US-10155725-B2 Anthelmintic compounds and compositions and method of using thereof MERIAL, INC. (US) 2018-12-18 US disclosed
EP-2922845-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL INC (US) 2018-06-20 EP disclosed
US-20160185726-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL, INC. (US) 2016-06-30 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-20160185726-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF CYP3A5, ABCC5, CXXC5 AR 3315/4885ENPP2 44/4885CYP3A4 58/4885
US-10155725-B2 Anthelmintic compounds and compositions and method of using thereof CYP3A5, ABCC5, CXXC5 AR 3315/4885ENPP2 44/4885CYP3A4 58/4885

“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.