SCHEMBL492989

SCHEMBL492989

CN(C)C(CCc1ccccc1)C1CCC(NC(=O)C(N)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
ALDH1A1 P00352 6/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 3/20 0.39
METAP2 P50579 1/20 0.38
EPHX2 P34913 2/20 0.38
TP53 P04637 1/20 0.38
EPHX1 P07099 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
DPP4 P27487 2/20 0.38
DPP7 Q9UHL4 2/20 0.38

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
SCHEMBL493559 0.87 EPHX2 (0.43) ALDH1A1HTTKMT2ATSHRMETAP2
SCHEMBL492991 0.86 EPHX2 (0.43) ALDH1A1HTTMETAP2EPHX2EPHX1
SCHEMBL493561 0.85 SMYD3 (0.48) EPHX2EPHX1OPRM1OPRL1
SCHEMBL1327350 0.82 KMT2A (0.47) ALDH1A1SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL493829 0.80 L3MBTL1 (0.43) ALDH1A1SMN1; SMN2L3MBTL1TSHREPHX2
SCHEMBL1328539 0.80 MCHR1 (0.54) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL1328400 0.80 KMT2A (0.38) ALDH1A1HTTSMN1; SMN2KMT2AMEN1
SCHEMBL493440 0.79 TSHR (0.48) RAB9ANPC1ALDH1A1HTTSMN1; SMN2
SCHEMBL2305482 0.78 CTDSP1 (0.53) RAB9ANPC1ALDH1A1HTTSMN1; SMN2
SCHEMBL1327905 0.78 KMT2A (0.56) RAB9ANPC1ALDH1A1SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD RAB9A 2004/4885NPC1 519/4885ALDH1A1 1349/4885

“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.