SCHEMBL1326679

SCHEMBL1326679

COc1ccc(C(=O)NCCC2CCC(C(c3ccccc3)N(C)C)CC2)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
TP53 P04637 2/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
NAMPT P43490 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ACHE P22303 3/20 0.45
TSHR P16473 1/20 0.44
MCHR1 Q99705 1/20 0.44
MAPT P10636 1/20 0.44
BCHE P06276 1/20 0.43
MAOB P27338 2/20 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
SCHEMBL1328216 0.90 KCNA3 (0.48) ALDH1A1HPGDTP53MEN1KMT2A
SCHEMBL1326618 0.85 MEN1 (0.56) ALDH1A1TP53GAAMEN1KMT2A
SCHEMBL1327346 0.85 TSHR (0.55) LMNAALDH1A1HPGDTP53GAA
SCHEMBL1328446 0.84 P2RX7 (0.47) ALDH1A1HPGDTP53GAAMEN1
SCHEMBL2306307 0.83 NPC1 (0.44) LMNAPKMKMT2ANPC1RAB9A
SCHEMBL1327800 0.81 HPGD (0.44) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL1327650 0.80 NPC1 (0.45) ALDH1A1NAMPTMEN1KMT2ANPC1
SCHEMBL1327283 0.80 KCNA3 (0.50) LMNAALDH1A1HPGDTP53MEN1
SCHEMBL1329024 0.80 NPC1 (0.48) HPGDNPC1RAB9A
SCHEMBL493116 0.79 KLK7 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101384544-B Substituted cyclohexylmethyl derivatives GRUENENTHAL GMBH 2014-01-22 CN claimed
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
CN-101384544-B Substituted cyclohexylmethyl derivatives GRUENENTHAL GMBH 2014-01-22 CN disclosed
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 LMNA 1432/4885ALDH1A1 1333/4885HPGD 718/4885

“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.