SCHEMBL856745

SCHEMBL856745

O=C(O)NCC1CCNC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.57
GABRA5 P31644 2/20 0.57
GABRB2 P47870 2/20 0.57
SLC6A12 P48065 2/20 0.57
SLC6A11 P48066 2/20 0.57
SLC6A13 Q9NSD5 2/20 0.57
GABRA1 P14867 1/20 0.57
GABRR1 P24046 1/20 0.57
GABRA4 P48169 1/20 0.57
ALOX15 P16050 2/20 0.46
TSHR P16473 1/20 0.46
CYP2D6 P10635 1/20 0.46
SMYD3 Q9H7B4 2/20 0.44
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.41
NAMPT P43490 2/20 0.41
KDM1A O60341 2/20 0.41
MAOB P27338 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
CPN1 P15169 1/20 0.37

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
SCHEMBL2836599 1.00 SLC6A1 (0.57) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL2832801 1.00 SLC6A1 (0.57) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Bromide SCHEMBL23881409 0.98 SLC6A1 (0.55) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL3830642 0.98 SLC6A1 (0.55) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL15662845 0.98 SLC6A1 (0.55) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL2768724 0.89 CYP2D6 (0.51) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL5649078 0.89 CYP2D6 (0.51) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL477374 0.89 CYP2D6 (0.51) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL477247 0.88 ALOX15 (0.58) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL4020092 0.87 CYP2D6 (0.50) SLC6A1GABRA5GABRB2SLC6A12SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0106489-A2 Antibacterial agents WARNER-LAMBERT COMPANY (US) 1984-04-25 EP claimed
WO-2024130095-A9 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-08-02 WO disclosed
US-20240239781-A1 1H-PYRAZOLE DERIVATIVES AS SIGMA LIGANDS ACONDICIONAMIENTO TARRASENSE (ES) 2024-07-18 US disclosed
EP-4387617-A1 ACID CERAMIDASE INHIBITORS AND USES THEREOF The Regents of the University of California (US) 2024-06-26 EP disclosed
WO-2024130095-A1 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-06-20 WO disclosed
US-20240199609-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2024-06-20 US disclosed
WO-2024107434-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF Samsara Therapeutics Inc. (US) 2024-05-23 WO disclosed
EP-4326716-A1 1H-PYRAZOLE DERIVATIVES AS SIGMA LIGANDS Acondicionamiento Tarrasense (ES) 2024-02-28 EP disclosed
US-11905283-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2024-02-20 US disclosed
CN-117412964-A Substituted heterocyclic compounds and their use 首药控股(北京)股份有限公司 2024-01-16 CN disclosed
WO-2005021553-A1 NAPHTHALENE CARBOXAMIDES AND THEIR DERIVATIVES USEFUL AS NEW ANTI-ANGIOGENIC AGENTS PFIZER INC. (US) 2005-03-10 WO disclosed
US-20040186126-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-09-23 US disclosed
US-20040009965-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-01-15 US disclosed
WO-2003106462-A1 BENZOFUSED HETEROARYL AMIDE DERIVATIVES OF THIENOPYRIDINES USEFUL AS THERAPEUTIC AGENTS, PHARMACEUTICAL COMPOSITIONS INCLUDING THE SAME, AND METHODS FOR THEIR USE PFIZER INC. (US) 2003-12-24 WO disclosed
US-4777175-A (NAPHTHYRIDINE, QUINOLINE) CARBOXYLIC ACID WARNER-LAMBERT COMPANY (US) 1988-10-11 US disclosed
US-4771054-A QUINOLINE CARBOXYLIC ACID WARNER-LAMBERT COMPANY (US) 1988-09-13 US disclosed
US-4665079-A QUINOLINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1987-05-12 US disclosed
US-4638067-A NAPHTHYRIDINE AND QUINOLINE CARBOXYLIC ACIDS WARNER-LAMBERT CO. (US) 1987-01-20 US disclosed
EP-0153163-A2 7-Substituted-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids; 7-substituted-1-cyclopropyl-1,4-dihydro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acids; their derivatives; and a process for preparing the compounds WARNER-LAMBERT COMPANY (US) 1985-08-28 EP disclosed
EP-0106489-A2 Antibacterial agents WARNER-LAMBERT COMPANY (US) 1984-04-25 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 (5 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-20040186126-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use DPYD, DHFR, TYMP SLC6A1 3667/4885GABRA5 876/4885GABRB2 1881/4885
US-11905283-B2 Compounds and compositions for inhibiting the activity of SHP2 PTPN1, PTPN2, PTPN5 SLC6A1 4570/4885GABRA5 3376/4885GABRB2 3639/4885
US-20240239781-A1 1H-PYRAZOLE DERIVATIVES AS SIGMA LIGANDS SIGMAR1, TMEM97, OPRD1 SLC6A1 1016/4885GABRA5 166/4885GABRB2 134/4885
US-20040009965-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use DPYD, DHFR, TYMP SLC6A1 3667/4885GABRA5 876/4885GABRB2 1881/4885
US-20240199609-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN1, PTPN2, PTPN5 SLC6A1 4570/4885GABRA5 3376/4885GABRB2 3639/4885

“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.