SCHEMBL1328446

SCHEMBL1328446

COc1ccccc1C(=O)NCCC1CCC(C(c2ccc(F)cc2)N(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.47
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 3/20 0.42
KCNA3 P22001 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41

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 0.93 KCNA3 (0.48) P2RX7RAB9ANPC1MAPK1KMT2A
SCHEMBL2306307 0.91 NPC1 (0.44) P2RX7RAB9ANPC1MAPK1SMN1; SMN2
SCHEMBL1326900 0.89 NPC1 (0.41) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL1326679 0.84 LMNA (0.48) RAB9ANPC1GAAKMT2AALDH1A1
SCHEMBL1327283 0.83 KCNA3 (0.50) P2RX7RAB9ANPC1MAPK1SMN1; SMN2
SCHEMBL1327650 0.83 NPC1 (0.45) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL1327546 0.83 CHRM4 (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL1327911 0.82 NPC1 (0.52) RAB9ANPC1MAPK1GAASMN1; SMN2
SCHEMBL1327843 0.81 LMNA (0.45) P2RX7RAB9ANPC1MAPK1SMN1; SMN2
SCHEMBL1327800 0.80 HPGD (0.44) P2RX7RAB9ANPC1SMN1; SMN2KMT2A

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 6 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
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

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 P2RX7 2239/4885RAB9A 905/4885NPC1 112/4885

“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.