SCHEMBL429943

SCHEMBL429943

COCc1ccc(CN)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.55
ABAT P80404 1/20 0.52
HRH3 Q9Y5N1 1/20 0.50
LOXL2 Q9Y4K0 4/20 0.48
ST14 Q9Y5Y6 1/20 0.44
IDO1 P14902 1/20 0.43
AGXT P21549 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL134443 0.86 IDO1 (0.46) MAOBIDO1AGXT
SCHEMBL30843803 0.84 MAOB (0.43) MAOBABATHRH3LOXL2ST14
SCHEMBL2901465 0.81 ENPP2 (0.54) MAOBLOXL2IDO1AGXT
SCHEMBL1049690 0.80 TAAR1 (0.61) MAOBTAAR1
SCHEMBL7894999 0.80 MAOB (0.52) MAOBABATHRH3LOXL2ST14
SCHEMBL513260 0.79 TDP1 (0.50) MAOBLOXL2IDO1AGXT
SCHEMBL7386080 0.78 ABAT (0.57) MAOBABATHRH3LOXL2ST14
SCHEMBL9679767 0.78 TSHR (0.52) IDO1AGXT
SCHEMBL8020885 0.78 ESR1 (0.48) IDO1AGXT
SCHEMBL11310162 0.78 ESR1 (0.48) IDO1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197115-B Preparation method and application of chiral 5-oxo pyrrolidine-3-carboxylic acid 成都金博汇康医药科技有限公司 2024-11-08 CN claimed
CN-115197115-A Preparation method and application of chiral 5-oxopyrrolidine-3-formic acid 成都金博汇康医药科技有限公司 2022-10-18 CN claimed
CN-115197115-B Preparation method and application of chiral 5-oxo pyrrolidine-3-carboxylic acid 成都金博汇康医药科技有限公司 2024-11-08 CN disclosed
CN-115197115-B Preparation method and application of chiral 5-oxo pyrrolidine-3-carboxylic acid 成都金博汇康医药科技有限公司 2024-11-08 CN disclosed
CN-117964547-A Urea compound and application thereof as Sigma2 and 5HT2A dual-target inhibitor 瀚远医药有限公司 2024-05-03 CN disclosed
WO-2024067302-A1 AMIDE COMPOUND AND USE THEREOF IN PREPARATION OF INHIBITOR OF SIGMA2 AND 5HT2A 瀚远医药有限公司 2024-04-04 WO disclosed
WO-2024067304-A1 COMPOUND WITH INHIBITORY ACTIVITY AGAINST SIGMA2 AND 5HT2A AND USE 瀚远医药有限公司 2024-04-04 WO disclosed
EP-3568390-B1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INST (US) 2024-03-06 EP disclosed
WO-2023218187-A1 AMINOPYRIMIDINYL DERIVATIVES FOR THE TREAMENT OF PARKINSON'S DISEASE UNIVERSITY OF DUNDEE (GB) 2023-11-16 WO disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
US-20060069282-A1 Process for producing aromatic nitrile compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2006-03-30 US disclosed
EP-1555257-A1 PROCESS FOR PRODUCING AROMATIC NITRILE COMPOUND IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2005-07-20 EP disclosed
US-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors WARNER-LAMBERT COMPANY 2005-07-14 US disclosed
WO-2005056004-A1 N-ALKYL PYRROLES AS HMG-COA REDUCTASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-06-23 WO disclosed
EP-0819000-A4 NODULISPORIC ACID DERIVATIVES MERCK & CO INC (US) 2001-04-11 EP disclosed
US-5962499-A ACARICIDAL, ANTIPARASITIC, INSECTICIDAL AND ANTHELMINTIC AGENTS MERCK & CO., INC. (US) 1999-10-05 US disclosed
CN-1184423-A Nodulisporic acid derivatives MERCK & CO INC (US) 1998-06-10 CN disclosed
EP-0819000-A1 NODULISPORIC ACID DERIVATIVES Merck & Co., Inc. (US) 1998-01-21 EP disclosed
WO-1996029073-A1 NODULISPORIC ACID DERIVATIVES MERCK & CO., INC. (US) 1996-09-26 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 (3 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-20060069282-A1 Process for producing aromatic nitrile compound ODC1, ALKBH3, GNMT MAOB 57/4885ABAT 213/4885HRH3 1045/4885
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT MAOB 531/4885ABAT 90/4885HRH3 3547/4885
US-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors HMGCR, DHCR7, CYP11A1 MAOB 863/4885ABAT 386/4885HRH3 3362/4885

“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.