SCHEMBL3023622

SCHEMBL3023622

c1ccc(-c2ncnn2CC2CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
P2RX7 Q99572 1/20 0.39
PTGS2 P35354 1/20 0.39
MERTK Q12866 7/20 0.39
NPC1 O15118 1/20 0.37
AXL P30530 3/20 0.37
TYRO3 Q06418 3/20 0.37
CREBBP Q92793 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 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
SCHEMBL23989427 0.73 L3MBTL1 (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL15653859 0.72 KMT2A (0.45) RAB9AMEN1KMT2AMAPTNPSR1
SCHEMBL10304515 0.71 HDAC1 (0.48) HDAC1HDAC6MEN1KMT2AMAPT
SCHEMBL23566114 0.71 CRHR1 (0.58) RAB9AMEN1KMT2AMAPTNPSR1
SCHEMBL19301627 0.69 KDM4E (0.43) RAB9AMEN1KMT2AMAPTNPSR1
SCHEMBL23990298 0.68 NOTUM (0.37) HDAC1MAPTALDH1A1LMNAL3MBTL1
SCHEMBL7490899 0.68 HDAC1 (0.45) HDAC1HDAC6RAB9AMEN1KMT2A
SCHEMBL3018678 0.68 KDM4E (0.40) RAB9AMEN1KMT2AMAPTNPSR1
SCHEMBL3859058 0.68 HDAC1 (0.45) HDAC1HDAC6RAB9AMAPTALDH1A1
SCHEMBL24769770 0.67 MAPT (0.38) KMT2AMAPTALDH1A1LMNAL3MBTL1

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
EP-2164825-B1 DI(HETERO)ARYLCYCLOHEXANE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM SANOFI SA (FR) 2014-04-30 EP disclosed
US-8076324-B2 Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS (FR) 2011-12-13 US disclosed
US-20100204206-A1 Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS (FR) 2010-08-12 US disclosed
EP-2164825-A1 DI(HETERO)ARYLCYCLOHEXANE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Sanofi-Aventis (FR) 2010-03-24 EP disclosed
WO-2008148468-A1 DI(HETERO)ARYLCYCLOHEXANE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM SANOFI-AVENTIS (FR) 2008-12-11 WO disclosed
WO-2008148468-A1 DI(HETERO)ARYLCYCLOHEXANE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM SANOFI-AVENTIS (FR) 2008-12-11 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 (1 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-20100204206-A1 Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them ATP2A1, ATP2A2, RYR2 HDAC1 1882/4885HDAC6 3685/4885RAB9A 2427/4885

“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.