SCHEMBL15744792

SCHEMBL15744792

Cc1nccnc1C1CNC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.42
CHRNA4 P43681 9/20 0.42
CHRNB4 P30926 3/20 0.42
CHRNA3 P32297 3/20 0.42
CHRNA1 P02708 1/20 0.42
ESR1 P03372 1/20 0.42
CHRNG P07510 1/20 0.42
CHRNB1 P11230 1/20 0.42
CHRNA5 P30532 1/20 0.42
CHRNA7 P36544 1/20 0.42
HTR3A P46098 1/20 0.42
CHRND Q07001 1/20 0.42
CHRNA2 Q15822 1/20 0.42
OPRL1 P41146 1/20 0.39
SSTR4 P31391 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
SCHEMBL21150251 0.79 OPRL1 (0.53) OPRL1SSTR4
SCHEMBL14440475 0.75 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL7699577 0.74 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL548100 0.74 OPRL1 (0.45) OPRL1
SCHEMBL7705836 0.74 CHRNB4 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Hydrochloric Acid SCHEMBL2595669 0.72 CHRNB4 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL7705967 0.72 PDE10A (0.48) CHRNB2CHRNA4HTR3A
Hydrochloric Acid SCHEMBL16454642 0.71 PDE10A (0.47) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL12027378 0.70 PDE10A (0.52)
SCHEMBL7700960 0.69 PDE10A (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1

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-9493459-B2 Azetidine and piperidine compounds useful as PDE10 inhibitors AMGEN INC. (US) 2016-11-15 US disclosed
US-20160176874-A1 AZETIDINE AND PIPERIDINE COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2016-06-23 US disclosed
US-9303028-B2 Azetidine and piperidine compounds useful as PDE10 inhibitors AMGEN INC. (US) 2016-04-05 US disclosed
US-20140148435-A1 AZETIDINE AND PIPERIDINE COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2014-05-29 US disclosed
US-8691986-B2 Azetidine and piperidine compounds useful as PDE10 inhibitors AMGEN INC. (US) 2014-04-08 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 (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-20160176874-A1 AZETIDINE AND PIPERIDINE COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE9A, PDE2A CHRNB2 400/4885CHRNA4 282/4885CHRNB4 469/4885
US-20140148435-A1 AZETIDINE AND PIPERIDINE COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE9A, PDE2A CHRNB2 400/4885CHRNA4 282/4885CHRNB4 469/4885

“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.