SCHEMBL15906962

SCHEMBL15906962

COC(C)C(=O)N1CC=C(C(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
PTPN1 P18031 1/20 0.34
NAMPT P43490 4/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CCR1 P32246 1/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GPR6 P46095 1/20 0.32
QDPR P09417 1/20 0.32
EPHX2 P34913 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RORC P51449 2/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL12030751 0.83 NAMPT (0.43) NAMPTKCNH2HRH3CCR1
SCHEMBL12049583 0.83 HPGD (0.40) HPGDPTPN1NAMPTKCNH2HRH3
SCHEMBL15837090 0.81 CYP2C9 (0.36) PTPN1KCNH2HRH3KMT2AALDH1A1
SCHEMBL12026528 0.80 HPGD (0.36) HPGDNAMPTKCNH2HRH3CCR1
SCHEMBL104852 0.78 QDPR (0.45) NAMPTKCNH2HRH3KMT2AQDPR
SCHEMBL12030754 0.77 NAMPT (0.45) HPGDNAMPTKMT2AKDM4EALDH1A1
SCHEMBL19454517 0.76 GRM5 (0.44) KCNH2HRH3
SCHEMBL17660297 0.76 MAPT (0.39) KCNH2HRH3KMT2AALDH1A1MEN1
SCHEMBL5369547 0.75 GAA (0.41) KMT2AKDM4EALDH1A1ALOX15TDP1
SCHEMBL2603265 0.74 MEN1 (0.37) NAMPTKCNH2HRH3KMT2AALDH1A1

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-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2016-04-14 US disclosed
US-8957073-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. 2015-02-17 US disclosed
US-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2014-07-31 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-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A HPGD 57/4885PTPN1 775/4885NAMPT 212/4885
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A HPGD 57/4885PTPN1 775/4885NAMPT 212/4885

“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.