SCHEMBL7206044

SCHEMBL7206044

O=C(O)CCCC1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.67
SMN1; SMN2 Q16637 3/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
CYP2C19 P33261 1/20 0.61
GRIN2B Q13224 9/20 0.58
CYP2D6 P10635 4/20 0.57
CYP2C9 P11712 4/20 0.57
HTT P42858 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CYP3A4 P08684 3/20 0.54
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52

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
Hydrochloric Acid SCHEMBL7859272 0.99 FAAH (0.66) FAAHSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL7280086 0.96 FAAH (0.62) FAAHSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL7282047 0.95 FAAH (0.61) FAAHSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL6823133 0.92 SMN1; SMN2 (0.67) FAAHSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL31597015 0.91 SMN1; SMN2 (0.67) FAAHSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL6948530 0.91 SMN1; SMN2 (0.65) FAAHSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL16212683 0.90 FAAH (0.64) FAAHSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL7206437 0.90 SMN1; SMN2 (0.64) FAAHSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL7107231 0.88 SMN1; SMN2 (0.65) FAAHSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL30712276 0.88 SMN1; SMN2 (0.65) FAAHSMN1; SMN2NPC1RAB9ACYP2C19

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569313-B2 Meta-substituted phenyl sulfonyl amides of secondary amino acid amides, the production thereof, and use thereof as matriptase inhibitors THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2013-10-29 US disclosed
US-8569313-B2 Meta-substituted phenyl sulfonyl amides of secondary amino acid amides, the production thereof, and use thereof as matriptase inhibitors THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2013-10-29 US disclosed
EP-2132174-B1 META-SUBSTITUTED PHENYL SULFONYL AMIDES OF SECONDARY AMINO ACID AMIDES, THE PRODUCTION THEREOF, AND USE THEREOF AS MATRIPTASE INHIBITORS MEDICINES CO LEIPZIG GMBH (DE) 2012-02-01 EP disclosed
US-20100305090-A1 META-SUBSTITUTED PHENYL SULFONYL AMIDES OF SECONDARY AMINO ACID AMIDES, THE PRODUCTION THEREOF, AND USE THEREOF AS MATRIPTASE INHIBITORS THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2010-12-02 US disclosed
US-20100305090-A1 META-SUBSTITUTED PHENYL SULFONYL AMIDES OF SECONDARY AMINO ACID AMIDES, THE PRODUCTION THEREOF, AND USE THEREOF AS MATRIPTASE INHIBITORS THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2010-12-02 US disclosed
EP-1030831-A4 PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES AVENTIS PHARM PROD INC (US) 2003-01-02 EP disclosed
US-6180759-B1 PREPARING AZACYCLOALKANOYLPSEUDOTETRAPEPTIDES COMPRISING COUPLING A DIPEPTIDE WITH A PSEUDODIPEPTIDE; FOR EXAMPLE, N-(N-ETHYL-N-(1-OXO-4-(4-PIPERIDINYL)BUTYL)GLYCYL)-(L)-ALPHA-ASPARTYL-3 -CYCLOHEXYL-(L)-ALANINEAMIDE; USE AS ANTICOAGULANTS AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-01-30 US disclosed
CN-1278791-A Process for the preparation of azacyclkylalkanoyl pseudotetrapeptides HOECHST PHARMA (US) 2001-01-03 CN disclosed
EP-1030831-A1 PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES Aventis Pharmaceuticals Products Inc. (US) 2000-08-30 EP disclosed
WO-1999019294-A1 PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES AVENTIS PHARMACEUTICALS PRODUCTS INC. LEGAL/PATENTS (US) 1999-04-22 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-20100305090-A1 META-SUBSTITUTED PHENYL SULFONYL AMIDES OF SECONDARY AMINO ACID AMIDES, THE PRODUCTION THEREOF, AND USE THEREOF AS MATRIPTASE INHIBITORS MMP7, DNPEP, METAP1 FAAH 714/4885SMN1; SMN2 2987/4885NPC1 3057/4885

“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.