SCHEMBL7698249

SCHEMBL7698249

O[C@H]1CC[C@H](Nc2nc3ccccc3o2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.53
PDE10A Q9Y233 1/20 0.50
PCSK9 Q8NBP7 1/20 0.50
SSTR5 P35346 7/20 0.48
ELANE P08246 1/20 0.48
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CXCR3 P49682 1/20 0.47
HDAC6 Q9UBN7 1/20 0.45
SCD O00767 1/20 0.45
HCRTR1 O43613 3/20 0.45
HCRTR2 O43614 2/20 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
SCHEMBL3952272 0.92 OPRK1 (0.59) OPRK1PDE10APCSK9SSTR5ELANE
SCHEMBL16666111 0.86 ELANE (0.62) OPRK1PDE10APCSK9SSTR5ELANE
SCHEMBL5065261 0.84 ELANE (0.65) OPRK1PDE10APCSK9SSTR5ELANE
SCHEMBL12966291 0.84 OPRK1 (0.53) OPRK1PDE10APCSK9SSTR5ELANE
SCHEMBL3577272 0.82 OPRK1 (0.53) OPRK1PDE10APCSK9SSTR5ELANE
SCHEMBL13564111 0.81 OPRK1 (0.53) OPRK1PDE10APCSK9SSTR5ELANE
SCHEMBL13564156 0.81 OPRK1 (0.50) OPRK1PDE10APCSK9SSTR5ELANE
SCHEMBL13563397 0.81 OPRK1 (0.53) OPRK1PDE10APCSK9SSTR5CXCR3
SCHEMBL21815043 0.81 ESR1 (0.43) SSTR5HDAC6
SCHEMBL15014110 0.81 OPRK1 (0.53) OPRK1PDE10APCSK9SSTR5CXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors AMGEN INC. 2016-09-29 US disclosed
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors AMGEN INC. 2016-09-29 US disclosed
US-8952037-B2 Heteroaryloxycarbocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2015-02-10 US disclosed
US-8952037-B2 Heteroaryloxycarbocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2015-02-10 US disclosed
US-20110306591-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS INC., AMGEN 2011-12-15 US disclosed
US-20110306591-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS INC., AMGEN 2011-12-15 US disclosed
WO-2011143366-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. (US) 2011-11-17 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 (2 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-20110306591-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS PDE10A, PDE9A, HDAC10 OPRK1 1351/4885PDE10A 1/4885PCSK9 171/4885
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors PDE10A, PDE9A, PDE7A OPRK1 1357/4885PDE10A 1/4885PCSK9 184/4885

“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.