SCHEMBL44579

SCHEMBL44579

O=C(O)CC1CCNCC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 3/20 0.75
GABRB2 P47870 3/20 0.75
SLC6A1 P30531 2/20 0.75
SLC6A12 P48065 2/20 0.75
SLC6A11 P48066 2/20 0.75
SLC6A13 Q9NSD5 2/20 0.75
GABRA1 P14867 2/20 0.75
GABRA4 P48169 2/20 0.75
GABRR1 P24046 1/20 0.75
TSHR P16473 2/20 0.48
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRE P78334 1/20 0.48
PMP22 Q01453 1/20 0.48
GABRA6 Q16445 1/20 0.48

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 SCHEMBL1967312 0.98 GABRA5 (0.72) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL17275233 0.93 SLC6A12 (0.67) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL5495206 0.91 SLC6A1 (0.64) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL8131617 0.88 GABRA5 (0.60) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL24478321 0.86
SCHEMBL374930 0.86
SCHEMBL2450833 0.86
SCHEMBL8791493 0.84 SLC6A12 (0.56) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL22655757 0.84 SLC6A1 (0.96) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL21774701 0.84 SLC6A1 (0.96) GABRA5GABRB2SLC6A1SLC6A12SLC6A11

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 1188 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119306698-A Novel method for preparing zavigpam intermediate 浙江工业大学 2025-01-14 CN claimed
US-20240092849-A1 SELECTIVE MCL-1 BINDING PEPTIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2024-03-21 US claimed
CN-114621088-B Preparation method of diethyl terephthalamide 安徽新秀化学股份有限公司 2023-12-01 CN claimed
CN-117050061-A 2,4, 6-tri (piperidinecarboxylic acid) -1,3,5 triazine and preparation method thereof 济南利恒生物科技有限公司 2023-11-14 CN claimed
EP-4236942-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2023-09-06 EP claimed
EP-4236937-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2023-09-06 EP claimed
WO-2022093850-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2022-05-05 WO claimed
WO-2022093849-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2022-05-05 WO claimed
CN-108586178-B Process for the manufacture of nitriles and their corresponding amines 中国石油化工股份有限公司 2022-02-11 CN claimed
US-20190077840-A1 SELECTIVE MCL-1 BINDING PEPTIDES NATIONAL INSTITUTES OF HEALTH 2019-03-14 US claimed
CN-101035520-A CRP lowering agent TAKEDA PHARMACEUTICAL (JP) 2007-09-12 CN claimed
CN-101001854-A Highly selective novel amidation method TAKEDA PHARMACEUTICAL (JP) 2007-07-18 CN claimed
EP-1753752-A1 HIGHLY SELECTIVE NOVEL AMIDATION METHOD Takeda Pharmaceutical Company Limited (JP) 2007-02-21 EP claimed
US-7169759-B1 Tetrapeptide inhibitors of β-secretase ELAN PHARMACEUTICALS, INC. (US) 2007-01-30 US claimed
CN-1738805-A N- (1-benzyl-2-oxo-2- (1-piperazinyl) ethyl) -1-piperidincarboxamid-derivatives and related compounds use as CGRP-antagonists for treating a headache BOEHRINGER INGELHEIM INT (DE) 2006-02-22 CN claimed
WO-2005121133-A1 HIGHLY SELECTIVE NOVEL AMIDATION METHOD TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-22 WO claimed
CN-1473053-A High-density lipoprotein-cholesterol level elevating agent ����ҩƷ��ҵ��ʽ���� 2004-02-04 CN claimed
US-20030139414-A1 Heterocyclic side chain containing, n-substituted metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2003-07-24 US claimed
EP-1192177-A1 STATINE-DERIVED TETRAPEPTIDE INHIBITORS OF BETA-SECRETASE Elan Pharmaceuticals, Inc. (US) 2002-04-03 EP claimed
WO-2000077030-A1 STATINE-DERIVED TETRAPEPTIDE INHIBITORS OF BETA-SECRETASE ELAN PHARMACEUTICALS, INC. (US) 2000-12-21 WO claimed

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-20030139414-A1 Heterocyclic side chain containing, n-substituted metalloprotease inhibitors MME, MMP2, MMP9 GABRA5 2112/4885GABRB2 2640/4885SLC6A1 3219/4885
US-20190077840-A1 SELECTIVE MCL-1 BINDING PEPTIDES MCL1, BCL2L11, BCL2L1 GABRA5 4263/4885GABRB2 3705/4885SLC6A1 4624/4885
US-20240092849-A1 SELECTIVE MCL-1 BINDING PEPTIDES MCL1, BCL2L11, BCL2L1 GABRA5 4263/4885GABRB2 3705/4885SLC6A1 4624/4885

“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.