SCHEMBL8199064

SCHEMBL8199064

COc1ccc(NC(=O)C2CCNCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
ALDH1A1 P00352 1/20 0.64
MTNR1A P48039 3/20 0.63
MTNR1B P49286 3/20 0.63
HTT P42858 1/20 0.61
HPGD P15428 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ACHE P22303 1/20 0.57
BACE1 P56817 1/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
POLB P06746 2/20 0.56
MAP2K1 Q02750 2/20 0.54

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
SCHEMBL8324607 0.89 MTNR1A (0.71) SMN1; SMN2ALDH1A1MTNR1AMTNR1BHTT
Tert-Butyl Formate SCHEMBL28033419 0.89 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1MTNR1AMTNR1BHTT
SCHEMBL5205624 0.86 NPC1 (0.69) MTNR1AMTNR1BHTTHPGDACHE
SCHEMBL3188745 0.84 ENPP3 (0.69) MTNR1AMTNR1BHTTHPGDNPC1
SCHEMBL1724757 0.84 MTNR1A (0.70) ALDH1A1MTNR1AMTNR1BPOLB
SCHEMBL30518933 0.83 MTNR1A (0.64) SMN1; SMN2ALDH1A1MTNR1AMTNR1BHTT
SCHEMBL2446469 0.83 ALOX15 (0.59) MTNR1AMTNR1BHTTHPGDACHE
SCHEMBL13144615 0.83 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1HTTNPSR1POLB
SCHEMBL19494423 0.82 MTNR1A (0.64) SMN1; SMN2MTNR1AMTNR1BHTTHPGD
SCHEMBL5223237 0.82 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MTNR1AMTNR1BHTT

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
WO-2023066190-A1 COMPOUNDS AND THEIR USES AS GPR183 INHIBITORS NANJING IMMUNOPHAGE BIOTECH CO., LTD (CN) 2023-04-27 WO claimed
CN-118666840-A Design synthesis and application of spiro [ pyrrolidine-3, 3 '-quinoline ] -2,2' -diketopiperidine carboxamide compound 西南大学 2024-09-20 CN disclosed
EP-3127912-B1 TRIPEPTIDE EPOXYKETONE COMPOUND CONSTRUCTED BY HETEROCYCLE AND PREPARATION METHOD AND USE THEREOF UNIV ZHEJIANG (CN) 2021-04-21 EP disclosed
CN-104945470-B Tripeptide epoxy ketone compound constructed by heterocycle, preparation and application 浙江大学 2020-08-11 CN disclosed
US-9856288-B2 Tripeptide epoxyketone compound constructed by heterocycle and preparation method and use thereof ZHEJIANG UNIVERSITY (CN) 2018-01-02 US disclosed
EP-3127912-A1 TRIPEPTIDE EPOXYKETONE COMPOUND CONSTRUCTED BY HETEROCYCLE AND PREPARATION METHOD AND USE THEREOF Zhejiang University (CN) 2017-02-08 EP disclosed
US-20170022250-A1 TRIPEPTIDE EPOXYKETONE COMPOUND CONSTRUCTED BY HETEROCYCLE AND PREPARATION METHOD AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA , CHINESE ACADEMY OF SCIENCES (CN) 2017-01-26 US disclosed
WO-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 WO disclosed
EP-0717739-A1 BICYCLIC AROMATIC COMPOUNDS AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-06-26 EP disclosed
WO-1995007274-A1 BICYCLIC AROMATIC COMPOUNDS AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-03-16 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-20170022250-A1 TRIPEPTIDE EPOXYKETONE COMPOUND CONSTRUCTED BY HETEROCYCLE AND PREPARATION METHOD AND USE THEREOF VIP, DNPEP, PREP SMN1; SMN2 4538/4885ALDH1A1 3368/4885MTNR1A 4800/4885

“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.