SCHEMBL12026526

SCHEMBL12026526

CC(C)(C)N1CC(c2ccccn2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD11B1 P28845 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
KDM5A P29375 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL17886898 0.84 DRD4 (0.45) RIPK1ALDH1A1MAPTHSD11B1CHRM2
SCHEMBL17886515 0.83 DRD4 (0.45) ALDH1A1MAPTHSD11B1CHRM2CHRM4
SCHEMBL20993169 0.81 RIPK1 (0.45) RIPK1ALDH1A1MAPTNPC1RAB9A
SCHEMBL16488067 0.79 ALDH1A1 (0.44) RIPK1ALDH1A1MAPTOPRM1OPRD1
SCHEMBL23153281 0.78 RIPK1 (0.42) RIPK1ALDH1A1MAPTOPRM1OPRD1
SCHEMBL12026523 0.77 KDM5A (0.37) KDM5A
SCHEMBL12026518 0.77 GRM2 (0.31) OPRM1OPRL1
SCHEMBL24235274 0.76 DRD4 (0.42) ALDH1A1MAPTKMT2ACYP1A2DRD4
SCHEMBL12026517 0.75 CYP2C9 (0.34) CYP1A2NAMPT
SCHEMBL12030762 0.75 PDE9A (0.43) ALDH1A1MAPTOPRM1OPRD1OPRK1

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-8957073-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. 2015-02-17 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 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-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A RIPK1 2099/4885ALDH1A1 526/4885MAPT 1808/4885

“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.