SCHEMBL9951087

SCHEMBL9951087

OC(c1cnc(-c2ccc(C(F)(F)F)cc2)nc1)C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 5/20 0.45
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
PAX8 Q06710 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GABBR2 O75899 3/20 0.41
GABBR1 Q9UBS5 3/20 0.41
PDE2A O00408 1/20 0.40
TRPV1 Q8NER1 4/20 0.38
HDAC4 P56524 2/20 0.38
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL10200042 0.99 TRPV3 (0.47) TRPV3MEN1GAAMAPTMAPK1
SCHEMBL10199934 0.85 TRPV3 (0.44) TRPV3MEN1GAAMAPTMAPK1
SCHEMBL26081058 0.79 DHODH (0.50) MEN1GAAMAPTMAPK1KMT2A
SCHEMBL7713434 0.77 PDE2A (0.39) MEN1KMT2AGABBR2GABBR1PDE2A
SCHEMBL1348888 0.73 PDE2A (0.57) PDE2AIDO1TDO2
SCHEMBL10200355 0.73 TRPV3 (0.46) TRPV3PDE2AHDAC4HDAC3HDAC1
SCHEMBL9951577 0.73 GCGR (0.48) TRPV3HDAC4HDAC3HDAC1HDAC7
SCHEMBL9951123 0.73 GCGR (0.49) TRPV1
SCHEMBL9951410 0.72 GCGR (0.48) TRPV3TRPV1
SCHEMBL9951059 0.72 MAPT (0.47) MEN1MAPTKMT2ATRPV1HDAC4

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266861-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-09-24 US disclosed
US-20150266861-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-09-24 US disclosed
US-20150266861-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-09-24 US disclosed
US-9056834-B2 Glucagon receptor modulators PFIZER INC. (US) 2015-06-16 US disclosed
US-9056834-B2 Glucagon receptor modulators PFIZER INC. (US) 2015-06-16 US disclosed
US-9056834-B2 Glucagon receptor modulators PFIZER INC. (US) 2015-06-16 US disclosed
US-20150094338-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-04-02 US disclosed
US-20150094338-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-04-02 US disclosed
US-20150094338-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-04-02 US disclosed
US-8933104-B2 Glucagon receptor modulators PFIZER INC. (US) 2015-01-13 US disclosed
US-20140329862-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2014-11-06 US disclosed
US-8809342-B2 Glucagon receptor modulators PFIZER INC. (US) 2014-08-19 US disclosed
US-8809342-B2 Glucagon receptor modulators PFIZER INC. (US) 2014-08-19 US disclosed
US-8809342-B2 Glucagon receptor modulators PFIZER INC. (US) 2014-08-19 US disclosed
EP-2655331-A1 GLUCAGON RECEPTOR MODULATORS Pfizer Inc (US) 2013-10-30 EP disclosed
US-20120165343-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2012-06-28 US disclosed
WO-2012085745-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2012-06-28 WO disclosed
US-20120165343-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2012-06-28 US disclosed
WO-2012085745-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2012-06-28 WO disclosed
US-20120165343-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2012-06-28 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 (4 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-20140329862-A1 Glucagon Receptor Modulators GLP1R, GCGR, GPR119 TRPV3 598/4885MEN1 741/4885GAA 1503/4885
US-20150094338-A1 Glucagon Receptor Modulators GLP1R, GCGR, GPR119 TRPV3 598/4885MEN1 741/4885GAA 1503/4885
US-20120165343-A1 Glucagon Receptor Modulators GLP1R, GCGR, GPR119 TRPV3 598/4885MEN1 741/4885GAA 1503/4885
US-20150266861-A1 Glucagon Receptor Modulators GLP1R, GCGR, GPR119 TRPV3 598/4885MEN1 741/4885GAA 1503/4885

“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.