SCHEMBL8380431

SCHEMBL8380431

CC(=O)N1CCC(C)(C(F)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2C9 P11712 5/20 0.39
CYP3A4 P08684 4/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP2D6 P10635 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 4/20 0.39
EPHX2 P34913 2/20 0.39
PIK3CD O00329 1/20 0.38
CYP2C19 P33261 5/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HIF1A Q16665 1/20 0.34

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
SCHEMBL26053285 0.88 SMN1; SMN2 (0.38) CYP1A2TDP1CYP2C9CYP3A4ALDH1A1
SCHEMBL25708741 0.88 SMN1; SMN2 (0.38) CYP1A2TDP1CYP2C9CYP3A4ALDH1A1
SCHEMBL7897247 0.81 PIK3CD (0.44) CYP1A2TDP1CYP2C9CYP3A4ALDH1A1
SCHEMBL19419467 0.80 CHRNB2 (0.36) CYP1A2CYP2C9ALDH1A1EPHX2MEN1
SCHEMBL17571997 0.79 CYP1A2 (0.41) CYP1A2TDP1CYP2C9CYP3A4ALDH1A1
SCHEMBL2421614 0.77 USP2 (0.38) CYP1A2TDP1CYP2C9CYP3A4ALDH1A1
SCHEMBL12029867 0.76 PIK3CD (0.40) CYP1A2TDP1CYP2C9CYP3A4ALDH1A1
SCHEMBL8383076 0.76 CYP1A2 (0.46) CYP1A2TDP1CYP2C9CYP3A4ALDH1A1
SCHEMBL11997948 0.75 EPHX2 (0.53) CYP1A2TDP1CYP2C9CYP3A4ALDH1A1
SCHEMBL12437095 0.74 CYP1A2 (0.44) CYP1A2TDP1CYP2C9CYP3A4ALDH1A1

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 20 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-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors AMGEN INC. 2016-09-29 US disclosed
US-9376450-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2016-06-28 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-8952037-B2 Heteroaryloxycarbocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2015-02-10 US disclosed
US-8946230-B2 Aryl- and heteroaryl- nitrogen-heterocyclic compounds as PDE10 inhibitors AMGEN INC. (US) 2015-02-03 US disclosed
US-8497265-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2013-07-30 US disclosed
US-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS ALLEN JENNIFER R (US) 2013-03-28 US disclosed
US-8329700-B2 Pyrazine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-12-11 US disclosed
US-8318718-B2 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-11-27 US disclosed
US-20120277209-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2012-11-01 US disclosed
US-8247418-B2 Pyrazine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-08-21 US disclosed
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-20110306591-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS INC., AMGEN 2011-12-15 US disclosed
US-20110160182-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-06-30 US disclosed
US-20110160202-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-06-30 US disclosed
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-24 US disclosed
US-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-03 US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 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 (11 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-20110160182-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A CYP1A2 513/4885TDP1 217/4885CYP2C9 780/4885
US-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A CYP1A2 513/4885TDP1 217/4885CYP2C9 780/4885
US-20110160202-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A CYP1A2 513/4885TDP1 217/4885CYP2C9 780/4885
US-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A CYP1A2 979/4885TDP1 39/4885CYP2C9 439/4885
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A CYP1A2 979/4885TDP1 39/4885CYP2C9 439/4885
US-20110306591-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS PDE10A, PDE9A, HDAC10 CYP1A2 2098/4885TDP1 232/4885CYP2C9 1031/4885
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS HDAC10, PDE10A, PDE9A CYP1A2 698/4885TDP1 281/4885CYP2C9 315/4885
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors PDE10A, PDE9A, PDE7A CYP1A2 1868/4885TDP1 180/4885CYP2C9 812/4885
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE4A, PDE7A, PDE4D CYP1A2 1374/4885TDP1 92/4885CYP2C9 288/4885
US-20120277209-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A CYP1A2 720/4885TDP1 236/4885CYP2C9 563/4885
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A CYP1A2 1017/4885TDP1 819/4885CYP2C9 857/4885

“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.