SCHEMBL492745

SCHEMBL492745

CN(C)C(c1ccc(F)cc1)C1CCC(NC(=O)COC2CCCCC2N(C)S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
TP53 P04637 1/20 0.36
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
SPPL2A Q8TCT8 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
SLC6A3 Q01959 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
SCHEMBL492539 0.93 KMT2A (0.43) KMT2AALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL493484 0.92 KMT2A (0.40) KMT2AALDH1A1NPC1RAB9ATSHR
SCHEMBL492897 0.90 KMT2A (0.36) KMT2AALDH1A1NPC1RAB9ALMNA
SCHEMBL492802 0.88 LMNA (0.34) KMT2AALDH1A1TSHRLMNAGAA
SCHEMBL492674 0.84 KMT2A (0.37) KMT2AALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL492893 0.83 SPPL2A (0.40) KMT2AALDH1A1GAAMEN1PSEN1
SCHEMBL492584 0.82 PSEN1 (0.34) KMT2AALDH1A1NPC1TSHRLMNA
SCHEMBL493357 0.82 PSEN1 (0.36) KMT2ALMNAGAAMEN1TP53
SCHEMBL493222 0.77 SMN1; SMN2 (0.44) KMT2AALDH1A1NPC1RAB9ATSHR
SCHEMBL492926 0.77 HTR7 (0.41) KMT2ANPC1RAB9ATSHRLMNA

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 1749/4885ALDH1A1 1349/4885NPC1 519/4885

“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.