SCHEMBL2074737

SCHEMBL2074737

CN1CCC(N2CCCC2=O)CC1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
BRD2 P25440 1/20 0.45
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
KDM5A P29375 1/20 0.39
CHRM1 P11229 1/20 0.37
VNN1 O95497 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
LTA4H P09960 2/20 0.36
KCNH2 Q12809 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NPY5R Q15761 1/20 0.35

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
SCHEMBL8338221 0.94 DPP4 (0.39) BRD4BRD2CHRNB2CHRNB4CHRNA3
SCHEMBL17001968 0.92 DPP4 (0.39) BRD4BRD2CHRNB2CHRNB4CHRNA3
SCHEMBL12309469 0.89 KDM5A (0.42) BRD4BRD2CHRNB2CHRNB4CHRNA3
SCHEMBL20465779 0.88 CHRM2 (0.41) BRD4BRD2CHRNB2CHRNB4CHRNA3
SCHEMBL17185334 0.85
SCHEMBL6335314 0.83 NOS3 (0.45) BRD4BRD2NOS3NOS1NPY5R
SCHEMBL11842283 0.83 NOS3 (0.45) BRD4BRD2KDM5ANOS3NOS1
SCHEMBL15242574 0.82 BRD4 (0.46) BRD4BRD2CHRNB2CHRNB4CHRNA3
SCHEMBL23917218 0.81 NOS3 (0.43) BRD4BRD2NOS3NOS1NPY5R
SCHEMBL22889 0.81 NOS3 (0.43) BRD4BRD2NOS3NOS1NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897778-B2 Benzamide compounds ASTRAZENECA (SE) 2011-03-01 US claimed
US-20080293687-A1 Benzamide Compounds ASTRAZENECA AB (SE) 2008-11-27 US claimed
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US claimed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
WO-2023168291-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2023-09-07 WO disclosed
EP-4223754-A1 COMPOUND AS AKT KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-09 EP disclosed
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-06-01 US disclosed
US-20210147385-A1 COMPOUNDS AND METHODS FOR TARGETING PATHOGENIC BLOOD VESSELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-05-20 US disclosed
WO-2021076886-A1 3-PHENYLSULPHONYL-QUINOLINE DERIVATIVES AS AGENTS FOR TREATING PATHOGENIC BLOOD VESSELS DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-04-22 WO disclosed
EP-3322706-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-11-11 EP disclosed
US-10329263-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-25 US disclosed
US-10208021-B2 Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-19 US disclosed
US-20070179122-A1 Beta-Aminoacid-Derivatives As Factor Xa Inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-02 US disclosed
US-20070161647-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 and NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE S.P.A. 2007-07-12 US disclosed
US-20070161647-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 and NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE S.P.A. 2007-07-12 US disclosed
US-7223780-B2 Triazole-derivatives as blood clotting enzyme factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
WO-2007036532-A2 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-05 WO disclosed
US-7196103-B2 Indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-27 US disclosed
US-20070049573-A1 Pyrrole-Derivatives as Factor Xa Inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-01 US disclosed
WO-2006024841-A2 BENZAMIDE COMPOUNDS ASTRAZENECA AB (SE) 2006-03-09 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 (9 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-10329263-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 BRD4 1927/4885BRD2 1845/4885CHRNB2 4014/4885
US-10208021-B2 Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors TFPI, TFPI2, KLKB1 BRD4 1380/4885BRD2 3166/4885CHRNB2 4670/4885
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ BRD4 381/4885BRD2 2032/4885CHRNB2 4138/4885
US-20070161647-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 and NK-2 RECEPTOR ANTAGONISTS KCNQ3, KCNK3, KCNK2 BRD4 848/4885BRD2 1091/4885CHRNB2 381/4885
US-20070049573-A1 Pyrrole-Derivatives as Factor Xa Inhibitors F12, F2, F5 BRD4 2817/4885BRD2 4036/4885CHRNB2 4557/4885
US-20210147385-A1 COMPOUNDS AND METHODS FOR TARGETING PATHOGENIC BLOOD VESSELS TEK, KDR, LIPG BRD4 3909/4885BRD2 3083/4885CHRNB2 1610/4885
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI2, PADI6 BRD4 501/4885BRD2 1542/4885CHRNB2 4311/4885
US-20080293687-A1 Benzamide Compounds HDAC1, HDAC11, HDAC2 BRD4 47/4885BRD2 71/4885CHRNB2 3212/4885
US-20070179122-A1 Beta-Aminoacid-Derivatives As Factor Xa Inhibitors F12, F11, F5 BRD4 3936/4885BRD2 4343/4885CHRNB2 3128/4885

“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.