SCHEMBL2228387

SCHEMBL2228387

CC(CN)c1cnc(-c2ccccc2)n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.46
TAAR1 Q96RJ0 2/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
COMT P21964 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37
LDLR P01130 1/20 0.37
PCSK9 Q8NBP7 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37

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
SCHEMBL13843725 0.81 HPGDS (0.53) HPGDSCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL2229271 0.74 HPGDS (0.46) HPGDSCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL5376019 0.72 HPGDS (0.54) HPGDSCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL28069527 0.72 HPGDS (0.54) HPGDSCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL8453399 0.71 HPGDS (0.58) HPGDSCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL2224580 0.70 TAAR1 (0.42) TAAR1PDE3BPDE3AADORA3ADORA2A
SCHEMBL822807 0.70 HPGDS (0.77) HPGDSCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL14382243 0.69 CYP11B1 (0.57) HPGDSCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL27216943 0.68 HPGDS (0.54) HPGDSCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL27322957 0.68 HPGDS (0.54) HPGDSCYP11B1CYP11B2CYP1A2CYP3A4

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 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-20150038534-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY HPGDS 2476/4885TAAR1 2250/4885CYP11B1 315/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY HPGDS 2476/4885TAAR1 2250/4885CYP11B1 315/4885

“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.