SCHEMBL3007935

SCHEMBL3007935

O=C(O)C1(c2ccccc2)CCC(OCC2CC2)(c2nc(-c3ccccc3)n(CC3CC3)n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 6/20 0.36
PRNP P04156 3/20 0.35
AKR1C1 Q04828 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
RAB9A P51151 1/20 0.34
CNR1 P21554 2/20 0.34
GPR55 Q9Y2T6 2/20 0.34
CYP2C19 P33261 2/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CREBBP Q92793 1/20 0.33
S1PR2 O95136 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CRHR1 P34998 1/20 0.32
CRHR2 Q13324 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
SCHEMBL3007929 1.00 PTGIR (0.36) PTGIRPRNPAKR1C1ALDH1A1LMNA
SCHEMBL3007931 1.00 PTGIR (0.36) PTGIRPRNPAKR1C1ALDH1A1LMNA
SCHEMBL3007830 0.86 AKR1C1 (0.34) PTGIRPRNPAKR1C1CNR1GPR55
SCHEMBL3020023 0.86 AKR1C1 (0.34) PTGIRPRNPAKR1C1CNR1GPR55
SCHEMBL3007835 0.86 AKR1C1 (0.34) PTGIRPRNPAKR1C1CNR1GPR55
SCHEMBL3028061 0.83 PTGIR (0.36) PTGIRPRNPAKR1C1ALDH1A1LMNA
SCHEMBL3028063 0.83 PTGIR (0.36) PTGIRPRNPAKR1C1ALDH1A1LMNA
SCHEMBL3028057 0.83 PTGIR (0.36) PTGIRPRNPAKR1C1ALDH1A1LMNA
SCHEMBL3013405 0.83 GRM2 (0.38) PTGIRPRNPKMT2A
SCHEMBL3013407 0.83 GRM2 (0.38) PTGIRPRNPKMT2A

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 3 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

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 835/4885PRNP 3209/4885AKR1C1 338/4885

“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.