SCHEMBL2982908

SCHEMBL2982908

CN(C)C1(Cc2cccc(F)c2)CCC(NC(=O)COc2cccc(Cl)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.50
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KCNH2 Q12809 2/20 0.45
POLB P06746 1/20 0.45
SIGMAR1 Q99720 1/20 0.43
LMNA P02545 1/20 0.43
ATF4 P18848 1/20 0.43

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
SCHEMBL2987366 0.93 MCHR1 (0.54) MCHR1CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL5162540 0.93 MCHR1 (0.46) MCHR1KCNH2POLBSIGMAR1
SCHEMBL2972810 0.92 ATF4 (0.55) MCHR1CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL2987754 0.91 POLB (0.50) CYP1A2CYP3A4CYP2C19SMN1; SMN2POLB
SCHEMBL2978691 0.90 MCHR1 (0.51) MCHR1CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL2983707 0.89 POLB (0.53) MCHR1CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL2987178 0.87 ATF4 (0.58) MCHR1SMN1; SMN2POLBLMNAATF4
SCHEMBL2982118 0.85 MCHR1 (0.50) MCHR1CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL2976726 0.83 MCHR1 (0.54) MCHR1CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL2981298 0.81 ATF4 (0.56) MCHR1SMN1; SMN2POLBLMNAATF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786328-B2 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2010-08-31 US claimed
US-20070281954-A1 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-12-06 US claimed
US-7786328-B2 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2010-08-31 US disclosed
US-20070281954-A1 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-12-06 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-20070281954-A1 Cyclohexyl-1,4-diamine compounds DPYD, PKD1, AOC1 MCHR1 1826/4885CYP1A2 100/4885CYP3A4 124/4885

“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.