SCHEMBL379487

SCHEMBL379487

CCOC(=O)C1CCC(N2CCCC2=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
NPC1 O15118 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 3/20 0.46
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.41

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
SCHEMBL12568160 0.96 ALDH1A1 (0.52) ALDH1A1NPC1SMN1; SMN2MAPTTSHR
SCHEMBL2599858 0.84 NPY5R (0.46) ALDH1A1NPC1SMN1; SMN2
SCHEMBL2943702 0.84 NPY5R (0.46) ALDH1A1NPC1SMN1; SMN2
SCHEMBL4516164 0.81 L3MBTL1 (0.52) ALDH1A1TSHR
SCHEMBL403484 0.81 ALDH1A1 (0.48) ALDH1A1NPC1SMN1; SMN2MAPTTSHR
SCHEMBL17872620 0.81 POLB (0.43) ALDH1A1NPC1SMN1; SMN2TSHR
SCHEMBL17872617 0.81 POLB (0.43) ALDH1A1NPC1SMN1; SMN2TSHR
SCHEMBL4206666 0.80 MAPT (0.46) ALDH1A1NPC1SMN1; SMN2MAPTTSHR
SCHEMBL2130275 0.80 ALDH1A1 (0.47) ALDH1A1NPC1SMN1; SMN2MAPTTSHR
SCHEMBL12513671 0.79 NPY5R (0.45) NPC1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111479813-B Triazolobenzazepines as vasopressin V1A receptor antagonists 吉瑞工厂 2023-03-21 CN disclosed
EP-3724192-B1 TRIAZOLOBENZAZEPINES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS RICHTER GEDEON NYRT (HU) 2022-08-03 EP disclosed
US-11298363-B2 Triazolobenzazepines as vasopressin V1a receptor antagonists RICHTER GEDEON NYRT. (HU) 2022-04-12 US disclosed
CN-111479813-A Triazolobenzazepines as vasopressin V1A receptor antagonists 吉瑞工厂 2020-07-31 CN disclosed
EP-2408767-B1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS LUNDBECK & CO AS H (DK) 2013-07-10 EP disclosed
EP-2408767-B1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS LUNDBECK & CO AS H (DK) 2013-07-10 EP disclosed
US-20120101078-A1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBRCK A/S (DK) 2012-04-26 US disclosed
US-20120101078-A1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBRCK A/S (DK) 2012-04-26 US disclosed
US-20120101078-A1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBRCK A/S (DK) 2012-04-26 US disclosed
EP-2408767-A2 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. Lundbeck A/S (DK) 2012-01-25 EP disclosed
WO-2010108052-A2 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 2010-09-23 WO disclosed
WO-2010108052-A2 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 2010-09-23 WO disclosed
US-20090023918-A1 PROCESS FOR PREPARING 3-ACYLAMINOBENZOFURAN-2-CARBOXYLIC ACID DERIVATIVE SEKI MASAHIKO 2009-01-22 US disclosed
US-7439368-B2 Process for producing 3-acylaminobenzofuran-2-carboxylic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-10-21 US disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-07 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
CN-1842528-A Process for preparing 3-acylaminobenzofuran-2-carboxylic acid derivatives TANABE SEIYAKU CO (JP) 2006-10-04 CN disclosed
US-20060173188-A1 Process for producing 3-acylaminobenzofuran-2-carboxylic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-08-03 US disclosed
EP-1640373-A1 PROCESS FOR PRODUCING 3-ACYLAMINOBENZOFURAN-2-CARBOXYLIC ACID DERIVATIVE TANABE SEIYAKU CO., LTD. (JP) 2006-03-29 EP 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 (6 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-11298363-B2 Triazolobenzazepines as vasopressin V1a receptor antagonists AVPR1B, AVPR1A, AVPR2 ALDH1A1 1270/4885NPC1 1778/4885SMN1; SMN2 4312/4885
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD ALDH1A1 3204/4885NPC1 4319/4885SMN1; SMN2 2952/4885
US-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS PEPD, XPNPEP1, METAP1 ALDH1A1 1204/4885NPC1 3393/4885SMN1; SMN2 2742/4885
US-20120101078-A1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS NPY5R, NPY1R, NPY2R ALDH1A1 4710/4885NPC1 2211/4885SMN1; SMN2 3161/4885
US-20060173188-A1 Process for producing 3-acylaminobenzofuran-2-carboxylic acid derivative F12, F3, F11 ALDH1A1 661/4885NPC1 3078/4885SMN1; SMN2 4062/4885
US-20090023918-A1 PROCESS FOR PREPARING 3-ACYLAMINOBENZOFURAN-2-CARBOXYLIC ACID DERIVATIVE F12, F3, F11 ALDH1A1 690/4885NPC1 2896/4885SMN1; SMN2 3833/4885

“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.