SCHEMBL1328137

SCHEMBL1328137

COc1cccc(C(=O)NC2CCC(C(c3cccs3)N(C)C)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.50
ALDH1A1 P00352 6/20 0.49
TSHR P16473 1/20 0.49
MAPT P10636 2/20 0.48
GRM5 P41594 1/20 0.48
NPC1 O15118 2/20 0.47
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RAB9A P51151 2/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.44
HPGD P15428 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
SCHEMBL1326616 0.86 L3MBTL1 (0.49) ALDH1A1MAPTNPC1LMNASMN1; SMN2
SCHEMBL1328270 0.85 TSHR (0.47) ALDH1A1TSHRMAPTNPC1LMNA
SCHEMBL1326805 0.85 ADRA2A (0.49) MCHR1ALDH1A1GRM5NPC1SMN1; SMN2
SCHEMBL1327306 0.84 MEN1 (0.48) MCHR1ALDH1A1MAPTNPC1LMNA
SCHEMBL1327451 0.82 L3MBTL1 (0.42) MCHR1ALDH1A1TSHRGRM5NPC1
SCHEMBL1327941 0.81 RAB9A (0.49) MCHR1ALDH1A1TSHRNPC1LMNA
SCHEMBL1326871 0.80 POLB (0.48) ALDH1A1MAPTNPC1LMNAHTT
SCHEMBL2468483 0.79 NPC1 (0.71) MCHR1ALDH1A1TSHRMAPTGRM5
SCHEMBL1327203 0.78 TAS1R3 (0.59) MCHR1MEN1KMT2A
SCHEMBL1327804 0.78 SMYD3 (0.53) ALDH1A1TSHRMAPTNPC1LMNA

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 8 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
EP-1989174-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2008-11-12 EP disclosed
WO-2007079930-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2007-07-19 WO 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 MCHR1 429/4885ALDH1A1 1333/4885TSHR 760/4885

“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.