SCHEMBL2679083

SCHEMBL2679083

COc1cc(F)ccc1-c1ccc(C23CCCN(CCC2)C3)cn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.41
AR P10275 1/20 0.40
FLT3 P36888 3/20 0.39
KIT P10721 1/20 0.39
PIM1 P11309 1/20 0.39
CDK7 P50613 1/20 0.39
PIM3 Q86V86 1/20 0.39
HASPIN Q8TF76 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
CCNT1 O60563 1/20 0.38
CASP3 P42574 1/20 0.38
CDK9 P50750 1/20 0.38
CASP7 P55210 1/20 0.38
NSD2 O96028 2/20 0.38
SIGMAR1 Q99720 1/20 0.37
UGCG Q16739 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 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
SCHEMBL2678414 0.93 AR (0.41) KCNH2ARFLT3KITPIM1
SCHEMBL2678433 0.88 CYP1A1 (0.39)
SCHEMBL2679129 0.86 CYP11B1 (0.41)
SCHEMBL2677924 0.85 KDM1A (0.50) HASPIN
SCHEMBL2679030 0.81 CYP1A1 (0.41)
SCHEMBL2678416 0.81 HSD17B10 (0.36) SIGMAR1
SCHEMBL2679330 0.80 HSD11B1 (0.41) NSD2
SCHEMBL2678549 0.80 ALOX5AP (0.43) CCNT1CDK9
SCHEMBL2678616 0.79 CYP11B1 (0.43)
SCHEMBL2677627 0.78 KDM1A (0.52) HASPIN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759343-B2 Azabicycloalkane derivatives, preparation thereof and use thereof in therapy SANOFI (FR) 2014-06-24 US disclosed
US-20120202807-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY SANOFI (FR) 2012-08-09 US disclosed
US-8173669-B2 Azabicycloalkane derivatives, preparation thereof and use thereof in therapy SANOFI-AVENTIS (FR) 2012-05-08 US disclosed
US-20100035916-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY SANOFI-AVENTIS (FR) 2010-02-11 US disclosed
EP-2118104-A2 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY Sanofi-Aventis (FR) 2009-11-18 EP disclosed
WO-2008110699-A2 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY SANOFI-AVENTIS (FR) 2008-09-18 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-20120202807-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY TPMT, CYP51A1, ABL1 KCNH2 1409/4885AR 739/4885FLT3 72/4885
US-20100035916-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY TPMT, CYP51A1, ABL1 KCNH2 1409/4885AR 739/4885FLT3 72/4885

“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.