SCHEMBL856443

SCHEMBL856443

NCC1CCCN(C(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
CYP2D6 P10635 1/20 0.41
LMNA P02545 2/20 0.39
PLG P00747 1/20 0.39
PLAT P00750 1/20 0.39
CSNK2A2 P19784 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
CPB2 Q96IY4 2/20 0.36
CPN1 P15169 1/20 0.36
KDM1A O60341 1/20 0.35
SLC6A3 Q01959 1/20 0.35
EPHX2 P34913 2/20 0.35
HSD11B1 P28845 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
SCHEMBL1694358 1.00 ITGB3 (0.43) ITGB3ITGA2BCYP2D6LMNAPLG
SCHEMBL1694214 1.00 ITGB3 (0.43) ITGB3ITGA2BCYP2D6LMNAPLG
Tert-Butanol SCHEMBL28555468 0.92 ITGB3 (0.39) ITGB3ITGA2BCYP2D6LMNAPLG
SCHEMBL3155411 0.88 PLG (0.42) CYP2D6LMNAPLGPLATCHRM2
SCHEMBL790440 0.88 PLG (0.42) CYP2D6LMNAPLGPLATCHRM2
SCHEMBL2337249 0.88 PLG (0.42) CYP2D6LMNAPLGPLATCHRM2
Hydrochloric Acid SCHEMBL25248778 0.86 PLG (0.41) CYP2D6LMNAPLGPLATCHRM2
Hydrochloric Acid SCHEMBL25287438 0.86 PLG (0.41) CYP2D6LMNAPLGPLATCHRM2
SCHEMBL1935334 0.85 ITGB3 (0.44) ITGB3ITGA2BLMNACHRM2CHRM1
SCHEMBL30440562 0.85 CHRM3 (0.46) ITGB3ITGA2BCYP2D6LMNAPLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199583-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. 2024-06-20 US disclosed
US-11926617-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2024-03-12 US disclosed
CN-117580830-A Novel pyridine-sulfonamide derivatives as sigma ligands 塔拉森调理公司 2024-02-20 CN disclosed
WO-2023244918-A1 QUINOLONE BCL6 BIFUNCTIONAL DEGRADERS Treeline Biosciences, Inc. (US) 2023-12-21 WO disclosed
WO-2023240038-A1 TRICYCLIC QUINOLONE BCL6 BIFUNCTIONAL DEGRADERS Treeline Biosciences, Inc. (US) 2023-12-14 WO disclosed
EP-3340983-B1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2023-10-04 EP disclosed
US-20230172932-A1 SUBSTITUTED QUINAZOLINE SULFONAMIDES AS THIOREDOXIN INTERACTING PROTEIN (TXNIP) INHIBITORS SOUTHERN RESEARCH INSTITUTE (US) 2023-06-08 US disclosed
US-11014921-B2 Therapeutic compounds and methods of use thereof REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2021-05-25 US disclosed
US-20210115040-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-04-22 US disclosed
US-20200262818-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2020-08-20 US disclosed
US-5677448-A CHEMICAL INTERMEDIATES FOR MAKING ANTAGONIST OF THROMBIN, TREATING THROMBOSIS, STROKE, INFLAMMATION, ARTERIOSCLEROSIS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1997-10-14 US disclosed
US-5595999-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1997-01-21 US disclosed
US-5583146-A Heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 US disclosed
US-5583133-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-12-10 US disclosed
US-5578594-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-11-26 US disclosed
US-5532232-A INHIBIT THROMBIN INDUCED PLATELET AGGREGATION; FIBRINOGEN ANTICOAGULANTS IN BLOOD HOFFMANN-LA ROCHE INC. (US) 1996-07-02 US disclosed
EP-0648780-A1 Heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1995-04-19 EP disclosed
US-5405854-A Anticoagulants HOFFMANN-LA ROCHE INC. (US) 1995-04-11 US disclosed
US-5393760-A Cardiovascular disorders, antitumor agents HOFFMANN-LA ROCHE INC. (US) 1995-02-28 US disclosed
US-5260307-A Inhibit thrombin-induced platlet aggregation and clotting of fibrogen in plasma HOFMANN-LA ROCHE INC. (US) 1993-11-09 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 (6 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-20210115040-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN ITGB3 3600/4885ITGA2B 3193/4885CYP2D6 4092/4885
US-20200262818-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH ITGB3 680/4885ITGA2B 479/4885CYP2D6 756/4885
US-11014921-B2 Therapeutic compounds and methods of use thereof CD47, C3AR1, HLA-DRB1 ITGB3 1336/4885ITGA2B 2779/4885CYP2D6 1486/4885
US-20240199583-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH ITGB3 680/4885ITGA2B 479/4885CYP2D6 756/4885
US-20230172932-A1 SUBSTITUTED QUINAZOLINE SULFONAMIDES AS THIOREDOXIN INTERACTING PROTEIN (TXNIP) INHIBITORS TXN, TXNL1, TXN2 ITGB3 4834/4885ITGA2B 4872/4885CYP2D6 2977/4885
US-11926617-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH ITGB3 680/4885ITGA2B 479/4885CYP2D6 756/4885

“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.