SCHEMBL9925744

SCHEMBL9925744

COc1ccccc1[C@@H](N)CNc1cc(-c2ccc(C)c(Cl)c2)ncn1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 12/20 0.55
CYP1A2 P05177 8/20 0.49
CYP3A4 P08684 8/20 0.49
CYP2C19 P33261 8/20 0.49
TSHR P16473 7/20 0.49
CYP2D6 P10635 6/20 0.49
CLK4 Q9HAZ1 6/20 0.49
HIF1A Q16665 4/20 0.49
MAPK1 P28482 4/20 0.49
TP53 P04637 3/20 0.49
LMNA P02545 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 3/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP2C9 P11712 2/20 0.45
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL9925767 0.90 FAAH (0.50) FAAH
SCHEMBL9899372 0.88 FAAH (0.64) FAAH
SCHEMBL9925726 0.87 FAAH (0.60) FAAH
SCHEMBL9925765 0.86 FAAH (0.55) FAAHCYP1A2CYP3A4CYP2C19TSHR
SCHEMBL9925764 0.86 FAAH (0.55) FAAHCYP1A2CYP3A4CYP2C19TSHR
SCHEMBL9925709 0.84 FAAH (0.60) FAAH
SCHEMBL9925711 0.84 FAAH (0.60) FAAH
SCHEMBL9925773 0.83 FAAH (0.56) FAAH
SCHEMBL9925718 0.81 FAAH (0.52) FAAH
SCHEMBL9925719 0.81 FAAH (0.52) FAAH

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-8906914-B2 Ethylene diamine modulators of fatty acid hydrolase JANSSEN PHARMACEUTICA NV (BE) 2014-12-09 US disclosed
US-20120149696-A1 ETHYLENE DIAMINE MODULATORS OF FATTY ACID HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-06-14 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-20120149696-A1 ETHYLENE DIAMINE MODULATORS OF FATTY ACID HYDROLASE FAAH, FAAH2, APEH FAAH 1/4885CYP1A2 871/4885CYP3A4 1902/4885

“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.