SCHEMBL493170

SCHEMBL493170

CN(C)C(c1cccc(F)c1)C1CCC(CCNC(=O)COCCN(C)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CACNA1B Q00975 8/20 0.36
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
NR1I2 O75469 1/20 0.34
CYP3A4 P08684 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BDKRB1 P46663 3/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
CCR5 P51681 1/20 0.34
CCR2 P41597 1/20 0.34
CACNA1C Q13936 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL493159 0.94 BDKRB1 (0.38) LMNAGAASMN1; SMN2CACNA1BNR1I2
SCHEMBL493314 0.94 LMNA (0.39) LMNAGAASMN1; SMN2CACNA1BOPRM1
SCHEMBL493166 0.90 KMT2A (0.37) LMNASMN1; SMN2OPRL1BDKRB1KMT2A
SCHEMBL493982 0.90 LMNA (0.37) LMNAGAASMN1; SMN2CACNA1BNPSR1
SCHEMBL492917 0.89 LMNA (0.47) LMNAGAASMN1; SMN2CACNA1BOPRL1
SCHEMBL492803 0.89 SMN1; SMN2 (0.36) LMNAGAASMN1; SMN2OPRM1OPRL1
SCHEMBL492914 0.88 OPRL1 (0.37) LMNAOPRL1BDKRB1KMT2AMAPT
SCHEMBL493349 0.88 ALDH1A1 (0.40) GAASMN1; SMN2CYP3A4BDKRB1KMT2A
SCHEMBL492810 0.88 OPRM1 (0.41) LMNAGAASMN1; SMN2OPRM1BDKRB1
SCHEMBL493303 0.88 ALDH1A1 (0.39) LMNAGAASMN1; SMN2BDKRB1KMT2A

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 LMNA 2485/4885GAA 445/4885SMN1; SMN2 1729/4885

“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.