SCHEMBL1328148

SCHEMBL1328148

CN(C)C(c1ccccc1)C1CCC(NC(=O)c2cc(C(F)(F)F)ccc2F)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 15/20 0.54
CRHR2 Q13324 1/20 0.41
ACKR3 P25106 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADRA2A P08913 1/20 0.40
MCHR1 Q99705 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
ENPP2 Q13822 1/20 0.40

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
SCHEMBL1327812 0.85 HPGD (0.46) CRHR1ADRA2AMCHR1
SCHEMBL1327131 0.84 MEN1 (0.56) CRHR1ADRA2AMCHR1TAS1R3TAS1R1
SCHEMBL1326783 0.82 CRHR1 (0.45) CRHR1TAS1R3TAS1R1TAS1R2
SCHEMBL1328534 0.82 CRHR1 (0.45) CRHR1ADRA2AMCHR1TAS1R3TAS1R1
SCHEMBL2307354 0.79 MEN1 (0.52)
SCHEMBL2307363 0.79 POLB (0.42) ADRA2AMCHR1TAS1R3TAS1R1TAS1R2
Hydrochloric Acid SCHEMBL1327103 0.78 MEN1 (0.51)
SCHEMBL2359676 0.78 EPHX2 (0.61)
SCHEMBL1327484 0.78 MEN1 (0.55)
Hydrochloric Acid SCHEMBL1326806 0.77 EPHX2 (0.60)

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 39/4885CRHR2 92/4885ACKR3 2865/4885

“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.