SCHEMBL2985703

SCHEMBL2985703

Cc1cccc(CC2(N(C)C)CCC(NC(=O)CCCOc3ccccc3)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
HPGD P15428 1/20 0.49
CNR1 P21554 2/20 0.48
CNR2 P34972 2/20 0.48
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 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
SCHEMBL2987110 0.91 MEN1 (0.51) MEN1KMT2ACNR1CNR2RAB9A
SCHEMBL2981330 0.89 POLB (0.51) MEN1KMT2AHPGDRAB9AALDH1A1
SCHEMBL2987319 0.85 MEN1 (0.47) MEN1KMT2ACNR1CNR2
SCHEMBL2987816 0.85 MEN1 (0.47) MEN1KMT2ACNR1CNR2RAB9A
SCHEMBL2986952 0.85 MEN1 (0.47) MEN1KMT2ACNR1CNR2RAB9A
SCHEMBL2974347 0.84 KDM4E (0.49) MEN1KMT2AHPGDRAB9AALDH1A1
SCHEMBL2985188 0.83 MEN1 (0.50) MEN1KMT2AHPGDCNR1CNR2
SCHEMBL4052851 0.83 KMT2A (0.48) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL2981366 0.83 EPHX2 (0.50) MEN1KMT2ACNR1CNR2RAB9A
SCHEMBL206665 0.82 SSTR4 (0.45) MEN1KMT2ARAB9ANPC1MAPT

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 MEN1 318/4885KMT2A 3786/4885HPGD 162/4885

“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.