SCHEMBL17876544

SCHEMBL17876544

CCc1nc2cc(F)ccn2c1C(=O)NCc1ccc(N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 9/20 0.83
CYP2C19 P33261 7/20 0.72
CYP3A4 P08684 3/20 0.71
ENPP2 Q13822 1/20 0.41
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
EPHX2 P34913 3/20 0.41
NR1H4 Q96RI1 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 4/20 0.40
GAA P10253 1/20 0.39
PTGER4 P35408 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
PPARG P37231 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
SCHEMBL17876649 0.92 CYP2C9 (0.85) CYP2C9CYP2C19CYP3A4ENPP2CRHBP
SCHEMBL17876676 0.92 CYP2C9 (0.83) CYP2C9CYP2C19CYP3A4ENPP2CRHBP
SCHEMBL17876681 0.91 CYP2C9 (0.82) CYP2C9CYP2C19CYP3A4ENPP2CRHBP
SCHEMBL12294591 0.91 CYP2C9 (1.00) CYP2C9CYP2C19CYP3A4ENPP2CRHBP
SCHEMBL17876438 0.91 CYP2C9 (0.82) CYP2C9CYP2C19CYP3A4ENPP2CRHBP
SCHEMBL17876671 0.91 CYP2C9 (0.82) CYP2C9CYP2C19CYP3A4ENPP2CRHBP
SCHEMBL17876494 0.91 CYP2C9 (0.69) CYP2C9CYP2C19CYP3A4SMN1; SMN2KDM4E
SCHEMBL17876502 0.90 CYP2C9 (0.72) CYP2C9CYP2C19CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL17876735 0.89 CYP2C9 (0.66) CYP2C9CYP2C19CYP3A4ENPP2PTGER4
SCHEMBL2424516 0.88 CYP2C9 (0.78) CYP2C9CYP2C19CYP3A4ENPP2CRHBP

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-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.