SCHEMBL2990225

SCHEMBL2990225

CN(C)C1(Cc2ccc(F)cc2)CCC(NC(=O)C(C)(C)Oc2ccc(C(N)=O)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.41
MAOB P27338 1/20 0.40
PARP10 Q53GL7 1/20 0.40
HSD11B1 P28845 9/20 0.39
CNR1 P21554 2/20 0.38
FAAH O00519 1/20 0.37
EPHX2 P34913 1/20 0.37
HSD11B2 P80365 5/20 0.35
HTR2A P28223 1/20 0.35
PRKAA2 P54646 1/20 0.35
LMNA P02545 2/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
TSHR P16473 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL5159048 0.83 MAPT (0.33) SSTR4HSD11B1CNR1HSD11B2
SCHEMBL2983482 0.83 HSD11B1 (0.40) SSTR4MAOBHSD11B1FAAHEPHX2
SCHEMBL2983411 0.82 HSD11B1 (0.42) SSTR4HSD11B1CNR1HSD11B2
SCHEMBL2985243 0.80 HSD11B1 (0.46) SSTR4HSD11B1CNR1HSD11B2
SCHEMBL2981302 0.78 PPARA (0.59) HSD11B1HSD11B2PPARGPPARA
SCHEMBL2981685 0.75 PPARA (0.55) HSD11B1HSD11B2LMNAPPARGPPARA
SCHEMBL2985298 0.75 PPARA (0.51) HSD11B1CNR1HSD11B2HTR2APPARG
SCHEMBL2977575 0.73 PPARA (0.52) HSD11B1CNR1HSD11B2PPARGPPARA
SCHEMBL2982776 0.72 AQP3 (0.39) SSTR4HSD11B1LMNA
SCHEMBL2978782 0.72 PPARA (0.53) HSD11B1HSD11B2PPARGPPARA

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 SSTR4 1326/4885MAOB 61/4885PARP10 2747/4885

“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.