SCHEMBL4486212

SCHEMBL4486212

CN1Cc2ccccc2CC(NC(=O)O)C1=O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.45
MME P08473 2/20 0.45
HRH4 Q9H3N8 1/20 0.43
OPRM1 P35372 3/20 0.41
OPRD1 P41143 2/20 0.41
NAMPT P43490 1/20 0.41
PYGL P06737 2/20 0.40
PYGM P11217 2/20 0.40
TACR1 P25103 2/20 0.40

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
SCHEMBL13818352 0.86 MME (0.41) ACEMMEHRH4OPRM1OPRD1
SCHEMBL29481089 0.86 MME (0.41) ACEMMEHRH4OPRM1OPRD1
SCHEMBL29481090 0.86 MME (0.41) ACEMMEHRH4OPRM1OPRD1
SCHEMBL25343288 0.85 OPRM1 (0.49) ACEMMEHRH4OPRM1OPRD1
SCHEMBL25343278 0.85 OPRM1 (0.49) ACEMMEHRH4OPRM1OPRD1
SCHEMBL25343283 0.85 OPRM1 (0.49) ACEMMEHRH4OPRM1OPRD1
SCHEMBL7695914 0.82 ACE (0.45) ACEMMEHRH4
SCHEMBL14169913 0.81 ADRA2A (0.46)
Hydrochloric Acid SCHEMBL25345665 0.81 XIAP (0.53) ACEMMEHRH4OPRM1OPRD1
Hydrochloric Acid SCHEMBL25345671 0.81 XIAP (0.53) ACEMMEHRH4OPRM1OPRD1

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-20240083839-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-03-14 US disclosed
EP-4225730-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS The Regents of the University of California (US) 2023-08-16 EP disclosed
US-7550453-B2 Anticancer agents; colon cancer or hepatocellular carcinoma; analogs of bengamide where the caprolactam ring is changed and/or substituted e.g. N-(2-Methyl-3-oxo-2,3,4,5-tetrahydro-1H-2-benzazepin-4-yl)-(E)-(2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8,8-dimethylnon-6-enamide AVENTIS PHARMA SA (FR) 2009-06-23 US disclosed
US-20070244087-A1 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDES, PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2007-10-18 US disclosed
EP-1819679-A2 2-ALCOXY-3,4,5-TRIHYDROXY-ALKYLAMIDES, PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF Aventis Pharma S.A. (FR) 2007-08-22 EP disclosed
WO-2006056696-A2 2-ALCOXY-3,4,5-TRIHYDROXY-ALKYLAMIDES, PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2006-06-01 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 (2 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-20070244087-A1 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDES, PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF HCCS, ALKBH2, ALKBH3 ACE 3724/4885MME 3840/4885HRH4 572/4885
US-20240083839-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS PRMT8, SIRT1, PRMT3 ACE 3574/4885MME 2776/4885HRH4 3973/4885

“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.