SCHEMBL12367604

SCHEMBL12367604

NCc1ccc(OC2CCN(CC3CC3)CC2)nc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.42
LOX P28300 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
LIPE Q05469 1/20 0.39
HRH1 P35367 2/20 0.36
CCR3 P51677 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
KCNH2 Q12809 1/20 0.36
NAMPT P43490 1/20 0.36
MCHR1 Q99705 1/20 0.36

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
SCHEMBL24401086 0.82 GPR119 (0.51) LOXLOXL2LIPENAMPTMCHR1
SCHEMBL12367571 0.81 NAMPT (0.46) LIPESIGMAR1NAMPTMCHR1
SCHEMBL17214693 0.80 LOX (0.55) OPRK1LOXLOXL2KCNH2MCHR1
SCHEMBL12367663 0.79 OPRK1 (0.42) OPRK1LIPEKCNH2NAMPT
SCHEMBL2585954 0.79 LOX (0.61) OPRK1LOXLOXL2KCNH2
SCHEMBL5534680 0.79 OPRK1 (0.59) OPRK1HRH1CCR3SIGMAR1KCNH2
SCHEMBL12367605 0.78 OPRK1 (0.39) OPRK1LIPESIGMAR1NAMPT
SCHEMBL12390482 0.78 SIGMAR1 (0.56) HRH1CCR3SIGMAR1KCNH2
SCHEMBL12367570 0.77 ACHE (0.44) OPRK1HRH1NAMPT
SCHEMBL29483271 0.76 LOX (0.44) LOXLOXL2

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-20110207734-A1 Azine Derivatives and Methods of Use Thereof PALANI ANANDAN 2011-08-25 US disclosed
US-20110207734-A1 Azine Derivatives and Methods of Use Thereof PALANI ANANDAN 2011-08-25 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-20110207734-A1 Azine Derivatives and Methods of Use Thereof AZI2, GPR119, GID4 OPRK1 252/4885LOX 735/4885LOXL2 1774/4885

“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.