SCHEMBL492679

SCHEMBL492679

CN(C)C(c1cccs1)C1CCC(CCNC(=O)COCCNS(=O)(=O)c2ccccc2Cc2ccccc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
POLB P06746 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
ACHE P22303 2/20 0.32
BCHE P06276 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
TP53 P04637 4/20 0.31
MAPT P10636 3/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
LMNA P02545 1/20 0.31
CHRM4 P08173 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL493167 0.94 ALDH1A1 (0.38) ALDH1A1POLBTDP1ACHETP53
SCHEMBL492463 0.89 SMN1; SMN2 (0.38) POLBMAPTSMN1; SMN2
SCHEMBL492259 0.86 SGMS1 (0.33) ACHEBCHEMAPTHPGDCHRM4
SCHEMBL492602 0.86 PTGIR (0.37) ALDH1A1ACHEBCHEMAOAMAOB
SCHEMBL492995 0.84 OPRL1 (0.35) ACHEMAOAMAOBCHRM4
SCHEMBL492939 0.83 PTGIR (0.39) ALDH1A1POLBACHETP53MAPT
SCHEMBL492654 0.80 FAAH (0.38) ALDH1A1ACHEBCHEPKMHPGD
SCHEMBL492240 0.80 PTGIR (0.36) ALDH1A1POLBACHEMAPTHPGD
SCHEMBL492680 0.80 KMT2A (0.41) POLBTDP1ACHEBCHEMAPT
SCHEMBL493050 0.78 RAB9A (0.37) POLBHPGDSMN1; SMN2

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 ALDH1A1 1349/4885POLB 2120/4885TDP1 3893/4885

“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.