SCHEMBL897048

SCHEMBL897048

O=C(Nc1cccnc1)N1CC2(CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)C1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 15/20 0.66
NAMPT P43490 1/20 0.54
MMP1 P03956 1/20 0.53
MMP3 P08254 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP13 P45452 1/20 0.53
MMP14 P50281 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53

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
SCHEMBL896458 0.90 FAAH (0.81) FAAH
SCHEMBL895832 0.88 FAAH (0.63) FAAH
SCHEMBL896983 0.88 FAAH (0.63) FAAH
SCHEMBL896482 0.88 FAAH (0.62) FAAH
SCHEMBL896312 0.87 FAAH (0.77) FAAH
SCHEMBL896841 0.85 FAAH (0.77) FAAH
SCHEMBL896789 0.85 FAAH (0.70) FAAH
SCHEMBL896917 0.83 FAAH (0.64) FAAH
SCHEMBL896360 0.82 FAAH (0.69) FAAH
SCHEMBL896340 0.82 FAAH (0.67) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US claimed
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
WO-2010141817-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO 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-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, DBH FAAH 1/4885NAMPT 497/4885MMP1 3584/4885

“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.