SCHEMBL3028063

SCHEMBL3028063

O=C(O)C1(c2ccccc2)CCC(OCC2CC2)(c2nc(-c3ccccc3)nn2CC2CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 6/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
PRNP P04156 3/20 0.35
CREBBP Q92793 1/20 0.35
AKR1C1 Q04828 1/20 0.34
PDE10A Q9Y233 1/20 0.34
CNR1 P21554 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
TSHR P16473 1/20 0.33
S1PR2 O95136 1/20 0.33
FABP1 P07148 1/20 0.32
FABP4 P15090 1/20 0.32
HSD17B13 Q7Z5P4 1/20 0.32
NR1H4 Q96RI1 1/20 0.32

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
SCHEMBL3028057 1.00 PTGIR (0.36) PTGIRALDH1A1LMNARAB9APRNP
SCHEMBL3028061 1.00 PTGIR (0.36) PTGIRALDH1A1LMNARAB9APRNP
SCHEMBL3017022 0.83 GRM2 (0.38) PTGIRPRNP
SCHEMBL3019077 0.83 CRHR1 (0.37) PTGIRALDH1A1PRNPCREBBPAKR1C1
SCHEMBL3019074 0.83 CRHR1 (0.37) PTGIRALDH1A1PRNPCREBBPAKR1C1
SCHEMBL3019076 0.83 CRHR1 (0.37) PTGIRALDH1A1PRNPCREBBPAKR1C1
SCHEMBL3007929 0.83 PTGIR (0.36) PTGIRALDH1A1LMNARAB9APRNP
SCHEMBL3007935 0.83 PTGIR (0.36) PTGIRALDH1A1LMNARAB9APRNP
SCHEMBL3007931 0.83 PTGIR (0.36) PTGIRALDH1A1LMNARAB9APRNP
SCHEMBL3017015 0.83 GRM2 (0.38) PTGIRPRNP

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 5 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

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 PTGIR 835/4885ALDH1A1 1662/4885LMNA 478/4885

“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.