SCHEMBL2226360

SCHEMBL2226360

N#CC1(c2nc(-c3ccccc3)n[nH]2)CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.41
NR1H3 Q13133 7/20 0.41
DGAT1 O75907 1/20 0.38
USP30 Q70CQ3 4/20 0.38
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
PDK2 Q15119 2/20 0.35
HPGDS O60760 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
ALPL P05186 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL2227143 0.76 NR1H2 (0.41) NR1H2NR1H3DGAT1NPC1RAB9A
SCHEMBL2226905 0.70 CDK5 (0.39) KDM4ENPC1RAB9ALMNASMN1; SMN2
SCHEMBL2221989 0.70 AR (0.47) KDM4ENPC1RAB9ALMNASMN1; SMN2
SCHEMBL626037 0.69 OPRM1 (0.51) NPC1RAB9ASMN1; SMN2
SCHEMBL2225871 0.67 PIK3CD (0.47)
SCHEMBL2225443 0.66 AR (0.49) KDM4ERAB9ALMNA
SCHEMBL31582660 0.64 HCRTR2 (0.35)
SCHEMBL2225810 0.64 AR (0.35) USP30NPC1RAB9ASMN1; SMN2HTT
SCHEMBL25153966 0.63 OPRM1 (0.45) NPC1RAB9ASMN1; SMN2
SCHEMBL21246371 0.63 MAP3K12 (0.41)

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 13 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-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
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 NR1H2 106/4885NR1H3 56/4885DGAT1 3962/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY NR1H2 106/4885NR1H3 56/4885DGAT1 3962/4885

“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.