SCHEMBL2678731

SCHEMBL2678731

COc1ccc(OC)c(-c2ccc(C34CCN(CC3)C4)cn2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
KDM1A O60341 3/20 0.37
ADORA3 P0DMS8 2/20 0.37
REV1 Q9UBZ9 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
GAK O14976 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 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
SCHEMBL2678416 0.94 HSD17B10 (0.36) HSD17B10USP2KDM1AADORA3KDM4E
SCHEMBL2679030 0.90 CYP1A1 (0.41) HSD17B10KDM4EMEN1KMT2ASLC6A2
SCHEMBL2678616 0.85 CYP11B1 (0.43) HSD17B10USP2KDM1AMEN1KMT2A
SCHEMBL2678433 0.85 CYP1A1 (0.39) HSD17B10KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL2679493 0.83 ALOX5AP (0.43) HSD17B10MEN1KMT2A
SCHEMBL2677581 0.82 RXFP1 (0.45) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL2678945 0.81 FYN (0.43) HSD17B10KDM1AKDM4EMEN1KMT2A
SCHEMBL2678414 0.81 AR (0.41)
SCHEMBL2677627 0.80 KDM1A (0.52) USP2KDM1A
SCHEMBL2679383 0.79 KDM1A (0.50) KDM1AMAPTNPC1

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 7 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
EP-2118104-B1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY SANOFI SA (FR) 2013-01-02 EP 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 HSD17B10 2091/4885USP2 3594/4885KDM1A 893/4885
US-20100035916-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY TPMT, CYP51A1, ABL1 HSD17B10 2091/4885USP2 3594/4885KDM1A 893/4885

“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.