SCHEMBL493064

SCHEMBL493064

CN(C)C(c1ccccc1)C1CCC(NC(=O)COC2CCCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
NPC1 O15118 1/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
POLB P06746 2/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 6/20 0.37
LMNA P02545 4/20 0.37
TDP1 Q9NUW8 3/20 0.37
MAPK1 P28482 1/20 0.35

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
SCHEMBL493757 0.95 KMT2A (0.39) RAB9ANPC1ATMMEN1KMT2A
SCHEMBL493465 0.90 KMT2A (0.37) RAB9AATMMEN1KMT2AALDH1A1
SCHEMBL492591 0.88 TDP1 (0.44) ATMMEN1KMT2AGAAALDH1A1
SCHEMBL492834 0.88 SMN1; SMN2 (0.42) RAB9ANPC1ATMMEN1KMT2A
SCHEMBL493670 0.87 CACNA2D1 (0.42) RAB9ANPC1ATMMEN1KMT2A
SCHEMBL492683 0.87 MEN1 (0.41) RAB9ANPC1ATMMEN1KMT2A
SCHEMBL493966 0.86 ALDH1A1 (0.40) RAB9AMEN1KMT2ASMN1; SMN2POLB
SCHEMBL492856 0.84 SMN1; SMN2 (0.40) RAB9ANPC1ATMMEN1KMT2A
SCHEMBL492906 0.84 EPHX2 (0.47) MEN1KMT2A
SCHEMBL492633 0.83 KMT2A (0.45) ATMMEN1KMT2AALDH1A1TDP1

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-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed
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 519/4885ATM 1904/4885

“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.