SCHEMBL492996

SCHEMBL492996

CN(C)C(c1cccc(F)c1)C1CCC(CCNC(=O)COCCN(Cc2ccccc2)S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TAS2R14 Q9NYV8 5/20 0.39
CXCR3 P49682 4/20 0.37
OPRM1 P35372 2/20 0.36
OPRL1 P41146 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.35
PTGER2 P43116 2/20 0.34
NR1H4 Q96RI1 1/20 0.34

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
SCHEMBL493356 0.93 CXCR3 (0.42) KMT2AMEN1TAS2R14CXCR3NR1H4
SCHEMBL492261 0.92 TAS2R14 (0.43) KMT2AMEN1TAS2R14CXCR3NPSR1
SCHEMBL492523 0.90 BDKRB1 (0.40) CXCR3
SCHEMBL493377 0.88 NPSR1 (0.42) KMT2AMEN1TAS2R14OPRL1NPSR1
SCHEMBL493788 0.88 AVPR1B (0.37) OPRM1OPRL1LMNA
SCHEMBL492603 0.88 CXCR3 (0.44) KMT2AMEN1TAS2R14CXCR3MAPT
SCHEMBL493166 0.86 KMT2A (0.37) KMT2AMEN1OPRL1LMNA
SCHEMBL492940 0.85 CXCR3 (0.47) KMT2AMEN1TAS2R14CXCR3LMNA
SCHEMBL492803 0.85 SMN1; SMN2 (0.36) KMT2AMEN1OPRM1OPRL1NPSR1
SCHEMBL492241 0.84 TAS2R14 (0.44) KMT2AMEN1TAS2R14CXCR3NPSR1

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 KMT2A 1749/4885MEN1 4132/4885TAS2R14 1127/4885

“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.