SCHEMBL17876707

SCHEMBL17876707

CCc1nc2c(Cl)cccn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.75
CYP2C19 P33261 5/20 0.75
CYP3A4 P08684 3/20 0.61
CHRM2 P08172 2/20 0.42
EPHX2 P34913 2/20 0.41
CHRM4 P08173 6/20 0.40
GRM2 Q14416 1/20 0.40
PTGER4 P35408 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL17876592 0.93 CYP2C9 (0.72) CYP2C9CYP2C19CYP3A4CHRM2EPHX2
SCHEMBL17876646 0.92 CYP2C9 (0.71) CYP2C9CYP2C19CYP3A4CHRM2EPHX2
SCHEMBL17876664 0.92 CYP2C9 (0.71) CYP2C9CYP2C19CYP3A4CHRM2EPHX2
SCHEMBL20346932 0.92 CYP2C9 (0.71) CYP2C9CYP2C19CYP3A4CHRM2EPHX2
SCHEMBL13838235 0.92 CYP2C9 (0.71) CYP2C9CYP2C19CYP3A4CHRM2EPHX2
SCHEMBL17876633 0.91 CYP2C9 (0.70) CYP2C9CYP2C19CYP3A4CHRM2EPHX2
SCHEMBL17876524 0.91 CYP2C9 (0.62) CYP2C9CYP2C19CYP3A4LMNA
SCHEMBL17876545 0.91 CYP2C9 (0.69) CYP2C9CYP2C19CYP3A4CHRM2EPHX2
SCHEMBL17876561 0.90 CYP2C9 (0.61) CYP2C9CYP2C19CYP3A4CHRM2
SCHEMBL17876658 0.90 CYP2C9 (0.73) CYP2C9CYP2C19CYP3A4LMNA

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.