SCHEMBL2641580

SCHEMBL2641580

OC1CC(c2nc3ccccc3[nH]2)C1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 7/20 0.50
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
ABCB11 O95342 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPY5R Q15761 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
SCHEMBL2641581 1.00 HTR2B (0.50) HTR2BKDM4ENPC1ABCB11ALDH1A1
SCHEMBL20677809 0.89 ALDH1A1 (0.52) HTR2BKDM4ENPC1ABCB11ALDH1A1
SCHEMBL2640467 0.85 HTR2B (0.57) HTR2BALDH1A1PKM
SCHEMBL12030470 0.83 TRPC3 (0.49) HTR2BKDM4ENPC1ABCB11ALDH1A1
SCHEMBL2276872 0.82 ALDH1A1 (0.59) HTR2BKDM4ENPC1ABCB11ALDH1A1
Hydrochloric Acid SCHEMBL31596380 0.80 MAPT (0.57) HTR2BKDM4ENPC1ABCB11ALDH1A1
SCHEMBL1298956 0.79 PARP1 (0.50) HTR2BKDM4ENPC1ABCB11ALDH1A1
SCHEMBL2674802 0.79 HTR2B (0.55) HTR2BKDM4ENPC1RAB9ANPY5R
SCHEMBL6756134 0.79 NPC1 (0.59) HTR2BKDM4ENPC1RAB9ANPY5R
SCHEMBL2491349 0.79 HTR2B (0.49) HTR2BKDM4ENPC1ABCB11ALDH1A1

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 5 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-8952037-B2 Heteroaryloxycarbocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2015-02-10 US disclosed
EP-2569306-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS Amgen Inc. (US) 2013-03-20 EP 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 HTR2B 294/4885KDM4E 1788/4885NPC1 1891/4885
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors PDE10A, PDE9A, PDE7A HTR2B 304/4885KDM4E 1588/4885NPC1 2206/4885

“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.