SCHEMBL896978

SCHEMBL896978

CC(C)(C)OC(=O)N1CCC2(CCN(Cc3cccc(Cc4ccc(Cl)cc4)c3)C2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MGLL Q99685 3/20 0.47
FAAH O00519 2/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
CCR8 P51685 1/20 0.46
KCNH2 Q12809 1/20 0.46
RORC P51449 1/20 0.46
TNKS O95271 1/20 0.45
PARP1 P09874 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45

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
SCHEMBL896968 0.87 FAAH (0.63) MGLLFAAHCCR8KCNH2
SCHEMBL21276348 0.85 MGLL (0.53) CYP2D6ALDH1A1MGLLCYP3A4TSHR
SCHEMBL8060461 0.84 CYP2D6 (0.67) CYP2D6ALDH1A1MGLLCYP3A4TSHR
SCHEMBL20490879 0.82 FAAH (0.61) MGLLFAAHCCR8KCNH2
SCHEMBL30758661 0.82 FAAH (0.61) MGLLFAAHCCR8KCNH2
SCHEMBL8044838 0.79 CYP2D6 (0.77) CYP2D6ALDH1A1CYP3A4TSHR
SCHEMBL1426231 0.79 CYP2D6 (0.64) CYP2D6ALDH1A1CYP3A4TSHR
SCHEMBL27477846 0.79 CYP2D6 (0.62) CYP2D6ALDH1A1CYP3A4TSHR
SCHEMBL20556708 0.79 ERN1 (0.56) CYP2D6MGLLCYP3A4TSHRRORC
SCHEMBL21262272 0.78 CYP2D6 (0.60) CYP2D6ALDH1A1CYP3A4TSHR

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-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 CYP2D6 1098/4885ALDH1A1 709/4885MGLL 48/4885

“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.