SCHEMBL17876708

SCHEMBL17876708

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

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.69
CYP2C19 P33261 5/20 0.69
CYP3A4 P08684 3/20 0.69
RXFP1 Q9HBX9 2/20 0.44
ENPP2 Q13822 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL17876589 0.94 CYP2C9 (0.62) CYP2C9CYP2C19CYP3A4ALDH1A1MAPT
SCHEMBL17876593 0.93 CYP2C9 (0.70) CYP2C9CYP2C19CYP3A4RXFP1ENPP2
SCHEMBL17876492 0.93 CYP2C9 (0.61) CYP2C9CYP2C19CYP3A4MAPTMEN1
SCHEMBL16447562 0.92 CYP2C9 (0.69) CYP2C9CYP2C19CYP3A4RXFP1ENPP2
SCHEMBL17876661 0.92 CYP2C9 (0.72) CYP2C9CYP2C19CYP3A4ENPP2LMNA
SCHEMBL17876503 0.92 CYP2C9 (0.64) CYP2C9CYP2C19CYP3A4RXFP1ENPP2
SCHEMBL17876590 0.91 CYP2C9 (0.58) CYP2C9CYP2C19CYP3A4RXFP1ENPP2
SCHEMBL17876658 0.91 CYP2C9 (0.73) CYP2C9CYP2C19CYP3A4RXFP1ENPP2
SCHEMBL23655779 0.91 CYP2C9 (0.57) CYP2C9CYP2C19CYP3A4RXFP1ALDH1A1
SCHEMBL17876429 0.91 CYP2C9 (0.59) CYP2C9CYP2C19CYP3A4RXFP1ALDH1A1

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.