SCHEMBL1328534

SCHEMBL1328534

CN(C)C(c1ccccc1)C1CCC(NC(=O)c2cc(F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.45
ADRA2A P08913 3/20 0.44
MCHR1 Q99705 3/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
CCR2 P41597 2/20 0.44
KCNH2 Q12809 1/20 0.44
TACR1 P25103 3/20 0.42
TACR2 P21452 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PIK3CA P42336 1/20 0.42
BRD4 O60885 4/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
TRIM24 O15164 1/20 0.39
BRD1 O95696 1/20 0.39
CHRNA1 P02708 1/20 0.39
CCL2 P13500 1/20 0.39

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
SCHEMBL1327131 0.88 MEN1 (0.56) CRHR1ADRA2AMCHR1CCR2MEN1
SCHEMBL1326511 0.82 OPRL1 (0.48) ADRA2AMCHR1MEN1KMT2ABRD4
SCHEMBL1328148 0.82 CRHR1 (0.54) CRHR1ADRA2AMCHR1TAS1R3TAS1R1
SCHEMBL2307354 0.81 MEN1 (0.52) MEN1KMT2ABRD4
Hydrochloric Acid SCHEMBL1327103 0.80 MEN1 (0.51) MEN1KMT2ABRD4
SCHEMBL1326783 0.80 CRHR1 (0.45) CRHR1KCNH2BRD4TAS1R3TAS1R1
SCHEMBL1327484 0.80 MEN1 (0.55) MEN1KMT2A
SCHEMBL2307363 0.79 POLB (0.42) ADRA2AMCHR1ADRA1AHRH1MEN1
SCHEMBL1328568 0.78 CHRM4 (0.42) ACHE
SCHEMBL1326521 0.77 NPC1 (0.53) ADRA2AMCHR1HRH1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US claimed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 EP claimed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 US claimed
CN-101384544-A Substituted cyclohexylmethyl derivatives GRUENENTHAL GMBH (DE) 2009-03-11 CN claimed
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US disclosed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 EP disclosed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 US disclosed
CN-101384544-A Substituted cyclohexylmethyl derivatives GRUENENTHAL GMBH (DE) 2009-03-11 CN 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-20090286833-A1 Substituted Cyclohexylmethyl Compounds CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R CRHR1 39/4885ADRA2A 70/4885MCHR1 429/4885

“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.