SCHEMBL17876649

SCHEMBL17876649

CCc1nc2cc(F)ccn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.85
CYP2C19 P33261 5/20 0.85
CYP3A4 P08684 3/20 0.72
EPHX2 P34913 3/20 0.40
SCN9A Q15858 1/20 0.38
CRHBP P24387 3/20 0.38
CRHR2 Q13324 3/20 0.38
CHRM2 P08172 1/20 0.37
DPAGT1 Q9H3H5 3/20 0.37
CHRM4 P08173 1/20 0.37
ENPP2 Q13822 1/20 0.36
NR1H4 Q96RI1 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
SCHEMBL23655398 0.94 CYP2C9 (0.75) CYP2C9CYP2C19CYP3A4EPHX2SCN9A
SCHEMBL17876641 0.93 CYP2C9 (0.85) CYP2C9CYP2C19CYP3A4EPHX2SCN9A
SCHEMBL17876544 0.92 CYP2C9 (0.83) CYP2C9CYP2C19CYP3A4EPHX2CRHBP
SCHEMBL12295258 0.92 CYP2C9 (1.00) CYP2C9CYP2C19CYP3A4EPHX2SCN9A
SCHEMBL17876660 0.92 CYP2C9 (0.84) CYP2C9CYP2C19CYP3A4EPHX2SCN9A
SCHEMBL17876721 0.92 CYP2C9 (0.84) CYP2C9CYP2C19CYP3A4EPHX2SCN9A
SCHEMBL17876669 0.92 CYP2C9 (0.84) CYP2C9CYP2C19CYP3A4EPHX2SCN9A
SCHEMBL17876440 0.92 CYP2C9 (0.75) CYP2C9CYP2C19CYP3A4CHRM4
SCHEMBL17876770 0.91 CYP2C9 (0.71) CYP2C9CYP2C19CYP3A4EPHX2SCN9A
SCHEMBL17876584 0.91 CYP2C9 (0.86) CYP2C9CYP2C19CYP3A4CRHBPCRHR2

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
EP-3027615-B1 ANTI-INFECTIVE COMPOUNDS PASTEUR INSTITUT KOREA (KR) 2021-07-21 EP disclosed
US-20160185774-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2016-06-30 US disclosed
US-20160185774-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 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 (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-20160185774-A1 Anti-Infective Compounds RABGGTB, ELANE, SERPINB1 CYP2C9 4235/4885CYP2C19 4181/4885CYP3A4 2915/4885

“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.