SCHEMBL493135

SCHEMBL493135

CN(C)C(c1ccc(F)cc1)C1CCC(CNC(=O)COCCN(C)S(=O)(=O)c2c(Cl)cccc2Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 4/20 0.39
▸ PTGIR P43119 6/20 0.36
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.33
▸ GRM5 P41594 1/20 0.32
▸ HTR6 P50406 1/20 0.32

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
SCHEMBL493380 0.94 BDKRB1 (0.40) BDKRB1PTGIRKMT2A
SCHEMBL493506 0.93 PTGIR (0.35) BDKRB1PTGIRHPGDHTTNPC1
SCHEMBL493901 0.93 PTGIR (0.41) BDKRB1PTGIRHPGDKMT2APOLB
SCHEMBL493043 0.92 BDKRB1 (0.38) BDKRB1PTGIRNR1H4GRM5HTR6
SCHEMBL493431 0.92 BDKRB1 (0.38) BDKRB1PTGIRHPGDHTTNPC1
SCHEMBL493560 0.89 BDKRB1 (0.40) BDKRB1HPGDNPC1KMT2A
SCHEMBL493538 0.88 HTT (0.40) PTGIRHPGDHTTNPC1KMT2A
SCHEMBL492871 0.88 ALDH1A1 (0.38) HPGDHTTNPC1KMT2APOLB
SCHEMBL493376 0.88 ALDH1A1 (0.38) HPGDHTTNPC1KMT2APOLB
SCHEMBL494153 0.88 PTGIR (0.35) BDKRB1PTGIRHTR6

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 6 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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 — — US 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 BDKRB1 1622/4885PTGIR 121/4885HPGD 213/4885

“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.

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