SCHEMBL2634085

SCHEMBL2634085

Clc1nccnc1C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.37
SLC6A2 P23975 6/20 0.37
SLC6A4 P31645 6/20 0.37
SLC6A3 Q01959 4/20 0.37
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HTR3A P46098 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HTR6 P50406 1/20 0.35
TLR9 Q9NR96 2/20 0.34
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
HRH4 Q9H3N8 1/20 0.33
FAAH O00519 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33

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
SCHEMBL19174251 0.85 OPRL1 (0.33)
SCHEMBL1304488 0.81 OPRL1 (0.35)
SCHEMBL7699577 0.79 CHRNB2 (0.42) HTR3AHRH3
SCHEMBL11679373 0.79 OPRL1 (0.37) NPC1RAB9AJAK2JAK1TYK2
Hydrochloric Acid SCHEMBL2595669 0.78 CHRNB4 (0.44) HTR3A
SCHEMBL28076460 0.76 HRH4 (0.41) HTR1ASLC6A2SLC6A4SLC6A3SLC18A3
SCHEMBL2593446 0.76 OPRL1 (0.40)
SCHEMBL1304461 0.76 RPS6KA3 (0.40) HTR1ASLC6A2SLC6A4SLC6A3SLC18A3
SCHEMBL13239364 0.76 SLC6A4 (0.54) HTR1ASLC6A2SLC6A4SLC6A3SLC18A3
SCHEMBL1304106 0.74 ESR2 (0.36) JAK2JAK1TYK2JAK3

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 8 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
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
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
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 HTR1A 558/4885SLC6A2 2244/4885SLC6A4 1877/4885
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors PDE10A, PDE9A, PDE7A HTR1A 534/4885SLC6A2 2386/4885SLC6A4 1904/4885

“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.