SCHEMBL492401

SCHEMBL492401

CN(C)C(c1cccs1)C1CCC(CNC(=O)COCCN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 5/20 0.39
TP53 P04637 2/20 0.38
NPY5R Q15761 1/20 0.37
CXCR3 P49682 2/20 0.37
ALDH1A1 P00352 3/20 0.37
PKM P14618 2/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL493577 0.93 POLB (0.41) POLBTDP1LMNANPY5RALDH1A1
SCHEMBL493347 0.92 TDP1 (0.39) POLBTDP1MAPTLMNATP53
SCHEMBL492497 0.92 MEN1 (0.36) POLBTDP1MAPTTP53ALDH1A1
SCHEMBL492638 0.92 ALDH1A1 (0.45) POLBTDP1LMNATP53CXCR3
SCHEMBL492753 0.89 TRPV4 (0.36) POLBTDP1MAPTLMNATP53
SCHEMBL493420 0.89 LMNA (0.38) POLBTDP1MAPTLMNATP53
SCHEMBL492498 0.89 CXCR3 (0.42) POLBTDP1MAPTLMNATP53
SCHEMBL493072 0.88 ALDH1A1 (0.41) MAPTLMNAALDH1A1PKMHTT
SCHEMBL493519 0.88 LMNA (0.40) TDP1LMNACXCR3ALDH1A1PKM
SCHEMBL492721 0.87 CXCR3 (0.43) LMNACXCR3ALDH1A1PKMHTT

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 POLB 2120/4885TDP1 3893/4885MAPT 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.