SCHEMBL2087344

SCHEMBL2087344

Clc1ccnc2c1CCCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
ACHE P22303 10/20 0.39
BCHE P06276 5/20 0.37
GRIN1 Q05586 3/20 0.37
GRIN2A Q12879 3/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GRM4 Q14833 1/20 0.36
CHRM1 P11229 2/20 0.35
EPHX2 P34913 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CACNB4 O00305 1/20 0.34
CACNA1A O00555 1/20 0.34
SLC22A2 O15244 1/20 0.34

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
SCHEMBL30666539 1.00 NOS3 (0.39) NOS3NOS1NOS2ACHEBCHE
SCHEMBL30666860 0.98 NOS3 (0.38) NOS3NOS1NOS2ACHEBCHE
SCHEMBL827623 0.96 GRM4 (0.39) NOS3NOS1NOS2ACHEBCHE
SCHEMBL29223369 0.78 NR4A2 (0.60) ACHEBCHEGRIN1GRIN2ACHRM1
SCHEMBL28217559 0.77 GRM4 (0.47) NOS3NOS1NOS2ACHEBCHE
SCHEMBL795349 0.76 NOS3 (0.44) NOS3NOS1NOS2ACHEBCHE
SCHEMBL24283716 0.74 NOS3 (0.42) NOS3NOS1NOS2ACHEBCHE
SCHEMBL2087614 0.74 NOS3 (0.48) NOS3NOS1NOS2ACHEBCHE
SCHEMBL22270533 0.74 NOS3 (0.39) NOS3NOS1NOS2ACHEBCHE
SCHEMBL2624112 0.74 BCL2L1 (0.42) NOS3NOS1NOS2ACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12522595-B2 Bicyclic ether O-glycoprotein-2-acetamido-2-deoxy-3-D-glucopyranosidase inhibitors BIOGEN MA INC. (US) 2026-01-13 US disclosed
US-20240150293-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS VERNALIS (R&D) LTD (GB) 2024-05-09 US disclosed
EP-4277892-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS Les Laboratoires Servier (FR) 2023-11-22 EP disclosed
CN-116940552-A Spirocyclic hexane derivatives, pharmaceutical compositions containing them and their use as anti-apoptotic inhibitors 法国施维雅药厂 2023-10-24 CN disclosed
WO-2022152705-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS LES LABORATOIRES SERVIER (FR) 2022-07-21 WO disclosed
US-20220106305-A1 BICYCLIC ETHER O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. 2022-04-07 US disclosed
EP-3921316-A1 BICYCLIC ETHER O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS Biogen MA Inc. (US) 2021-12-15 EP disclosed
US-20210317134-A1 UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 7 (USP7) MODULATORS AND USES THEREOF RAPT THERAPEUTICS INC (US) 2021-10-14 US disclosed
WO-2020163193-A1 BICYCLIC ETHER O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. (US) 2020-08-13 WO disclosed
US-20180072757-A1 Novel Heterocyclic Derivatives as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2018-03-15 US disclosed
US-7834016-B2 Inhibitors of the interaction between MDM2 and p53 JANSSEN PHARMACEUTICA NV (BE) 2010-11-16 US disclosed
EP-1809622-B1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2010-07-21 EP disclosed
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-14 US disclosed
EP-1809622-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-25 EP disclosed
WO-2006032631-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-30 WO disclosed
EP-0395244-B1 Pyridine derivatives WYETH JOHN & BROTHER LTD (GB) 1997-02-19 EP disclosed
WO-1996037473-A1 SUBSTITUTED 2,3-CYCLOALKENOPYRIDINES, PROCESS FOR PREPARING THE SAME, AGENTS CONTAINING THE SAME AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1996-11-28 WO disclosed
US-5194439-A 5-HT Agonists or Antagonists, Nervous System Disorders, Hypotensive Agents JOHN WYETH & BROTHER LIMITED (GB) 1993-03-16 US disclosed
US-5075303-A Central nervous system disorders JOHN WYETH & BROTHER LIMITED (GB) 1991-12-24 US disclosed
EP-0395244-A1 Pyridine derivatives JOHN WYETH & BROTHER LIMITED (GB) 1990-10-31 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-20240150293-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS BCL2, BAX, BCL2A1 NOS3 2023/4885NOS1 2458/4885NOS2 2680/4885
US-20210317134-A1 UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 7 (USP7) MODULATORS AND USES THEREOF USP7, SENP7, USP8 NOS3 3434/4885NOS1 3631/4885NOS2 3796/4885
US-20220106305-A1 BICYCLIC ETHER O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS ENGASE, UGGT1, MGAT3 NOS3 3467/4885NOS1 3701/4885NOS2 3337/4885
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 TP53, MDM2, TP53BP1 NOS3 2353/4885NOS1 2019/4885NOS2 2767/4885
US-20180072757-A1 Novel Heterocyclic Derivatives as Modulators of Kinase Activity CDK2, MAP4K3, MAP4K2 NOS3 1273/4885NOS1 1615/4885NOS2 1675/4885

“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.