SCHEMBL493377

SCHEMBL493377

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
TAS2R14 Q9NYV8 4/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
OPRL1 P41146 1/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
BMP1 P13497 1/20 0.36
TACR3 P29371 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL493051 0.92 NPSR1 (0.41) NPSR1TAS2R14LMNASMN1; SMN2KMT2A
SCHEMBL492677 0.92 TAS2R14 (0.41) NPSR1TAS2R14LMNASMN1; SMN2KMT2A
SCHEMBL493356 0.90 CXCR3 (0.42) TAS2R14KMT2AMEN1NR1H4TACR3
SCHEMBL493394 0.89 BDKRB1 (0.39) OPRL1BMP1
SCHEMBL492996 0.88 KMT2A (0.40) NPSR1TAS2R14OPRL1LMNAKMT2A
SCHEMBL493437 0.87 AVPR1A (0.38) NPSR1PKMTSHROPRL1LMNA
SCHEMBL492464 0.83 NPSR1 (0.38) NPSR1TAS2R14LMNASMN1; SMN2KMT2A
SCHEMBL493055 0.83 OPRL1 (0.39) OPRL1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL493344 0.83 OPRL1 (0.45) PKMTSHROPRL1LMNAKMT2A
SCHEMBL492686 0.82 ALDH1A1 (0.41) OPRL1LMNASMN1; SMN2KMT2AGAA

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 NPSR1 371/4885TAS2R14 1127/4885PKM 1161/4885

“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.