SCHEMBL8359251

SCHEMBL8359251

O=C(O)C=C1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA4 P13612 1/20 0.39
TSHR P16473 3/20 0.38
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37
GABRG3 Q99928 2/20 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
SCHEMBL2553152 0.88
SCHEMBL2553157 0.88
SCHEMBL12983433 0.83 ITGB3 (0.40) ITGB3ITGB1ITGAVITGA4TSHR
SCHEMBL1773442 0.78
SCHEMBL620598 0.78
SCHEMBL14854669 0.77 MAOA (0.34) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL5245447 0.77 CHRNB2 (0.35) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL16510369 0.77 HRH3 (0.31) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL1308184 0.76 ITGB3 (0.36) ITGB3ITGB1ITGAVITGA4TSHR
SCHEMBL30601862 0.76 ITGB3 (0.36) ITGB3ITGB1ITGAVITGA4TSHR

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2020207474-A1 GLP-1R AGONISTS AND USES THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2020-10-15 WO disclosed
WO-2018021977-A1 GLYCINE METABOLISM MODULATORS AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-02-01 WO disclosed
EP-2661424-B1 4-(ORTHO-SUBSTITUTED-PHENYL)-5-OXO-2,5-DIHYDRO-1H-PYRROLE COMPOUNDS AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2016-10-12 EP disclosed
US-8383839-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-02-26 US disclosed
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-05-12 US disclosed
US-7910751-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-22 US disclosed
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
US-20080287428-A1 Novel Heterocyclidene Acetamide Derivative MOCHIDA PHARMACEUTICAL CO.,LTD (JP) 2008-11-20 US disclosed
US-20080153801-A1 Benzoxazepine compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-06-26 US disclosed
US-20080153801-A1 Benzoxazepine compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-06-26 US disclosed
US-20070117787-A1 Benzoxazepine compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED 2007-05-24 US disclosed
US-20070117787-A1 Benzoxazepine compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED 2007-05-24 US disclosed
WO-1999029705-A2 SIALYL LEWIS X AND SIALYL LEWIS A GLYCOMIMETICS GLYCOMED INCORPORATED (US) 1999-06-17 WO disclosed
US-4130710-A POLYOLEFIN STABILIZERS CIBA-GEIGY CORPORATION (US) 1978-12-19 US disclosed
US-3971795-A POLYMER STABILIZER CIBA-GEIGY CORPORATION (US) 1976-07-27 US 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-20070117787-A1 Benzoxazepine compounds, their production and use NR1H2, APOB, CETP ITGB3 4830/4885ITGB1 4798/4885ITGAV 4860/4885
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 ITGB3 1152/4885ITGB1 2209/4885ITGAV 3219/4885
US-20080287428-A1 Novel Heterocyclidene Acetamide Derivative TRPV1, TRPV3, TRPA1 ITGB3 1419/4885ITGB1 2578/4885ITGAV 2485/4885
US-20080153801-A1 Benzoxazepine compounds, their production and use CETP, PCSK9, LPL ITGB3 4789/4885ITGB1 4688/4885ITGAV 4809/4885
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE TRPV1, TRPV3, TRPA1 ITGB3 1419/4885ITGB1 2578/4885ITGAV 2485/4885

“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.