SCHEMBL12410064

SCHEMBL12410064

C/N=C1/CC2(CCNCC2)Oc2cccnc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.39
ACACB O00763 2/20 0.36
EPHX2 P34913 1/20 0.34
CYP2D6 P10635 5/20 0.32
KCNH2 Q12809 3/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 1/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 3/20 0.31
HSD17B10 Q99714 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 2/20 0.30
TSHR P16473 2/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
CYP2C9 P11712 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL12495621 0.86 OPRD1 (0.36) OPRD1ACACBEPHX2CYP2D6KCNH2
SCHEMBL13339752 0.80 ACACB (0.49) OPRD1ACACBEPHX2
Hydrochloric Acid SCHEMBL3493117 0.78 ACACB (0.48) OPRD1ACACBEPHX2
SCHEMBL24879269 0.76 OPRD1 (0.41) OPRD1ACACBEPHX2CYP2D6KCNH2
SCHEMBL31282729 0.76 OPRD1 (0.41) OPRD1ACACBEPHX2CYP2D6KCNH2
SCHEMBL12410045 0.70 OPRD1 (0.32) OPRD1
SCHEMBL29634730 0.67 CHRNB2 (0.43) OPRD1EPHX2CYP2D6ALDH1A1HPGD
SCHEMBL13161926 0.67 CHRNB2 (0.43) OPRD1EPHX2CYP2D6ALDH1A1HPGD
Hydrochloric Acid SCHEMBL29758556 0.67 OPRD1 (0.36) OPRD1EPHX2CYP2D6KCNH2HTR2C
SCHEMBL15469500 0.66 EPHX2 (0.52) ACACBEPHX2ALDH1A1HPGDHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166124-A1 TRICYCLIC SPIROCYCLE DERIVATIVES AND METHODS OF USE MCCORMICK KEVIN D 2011-07-07 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-20110166124-A1 TRICYCLIC SPIROCYCLE DERIVATIVES AND METHODS OF USE GPR119, TRPV1, NR3C2 OPRD1 374/4885ACACB 122/4885EPHX2 2824/4885

“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.