SCHEMBL493510

SCHEMBL493510

CN(C)C(c1ccc(F)cc1)C1CCC(CCNC(=O)COC2CCCN(S(=O)(=O)c3ccccc3)C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.44
CYP2C19 P33261 2/20 0.39
MAPT P10636 2/20 0.39
CYP3A4 P08684 1/20 0.39
LMNA P02545 4/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
ATM Q13315 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL492619 0.95 ALDH1A1 (0.41) DPP4MAPTTSHRALDH1A1KMT2A
SCHEMBL493558 0.93 DPP4 (0.44) DPP4CYP2C19MAPTLMNAALDH1A1
SCHEMBL492616 0.93 DPP4 (0.45) DPP4CYP2C19MAPTCYP3A4LMNA
SCHEMBL493300 0.92 DPP4 (0.39) DPP4CYP2C19MAPTLMNATSHR
SCHEMBL493876 0.92 KMT2A (0.44) CYP2C19MAPTCYP3A4TSHRKMT2A
SCHEMBL493734 0.91 ALDH1A1 (0.44) DPP4MAPTALDH1A1KMT2AMEN1
SCHEMBL493448 0.89 DPP4 (0.43) DPP4CYP2C19MAPTCYP3A4LMNA
SCHEMBL492878 0.89 KMT2A (0.42) CYP3A4TSHRALDH1A1KMT2ASMN1; SMN2
SCHEMBL493352 0.88 KMT2A (0.41) CYP2C19MAPTCYP3A4LMNATSHR
SCHEMBL492813 0.88 KMT2A (0.41) CYP2C19MAPTCYP3A4LMNATSHR

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 DPP4 877/4885CYP2C19 134/4885MAPT 1653/4885

“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.