SCHEMBL3944638

SCHEMBL3944638

O=Cc1ccc2c(c1)CCNC2

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 2/20 0.55
DRD2 P14416 2/20 0.51
DRD3 P35462 2/20 0.51
PLAU P00749 1/20 0.50
PNMT P11086 8/20 0.48
CD44 P16070 1/20 0.48
MAOB P27338 1/20 0.48
ADRA2A P08913 3/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46

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
Hydrochloric Acid SCHEMBL29956163 0.98 ASIC3 (0.53) ASIC3DRD2DRD3PLAUPNMT
Bromide SCHEMBL2553326 0.98 ASIC3 (0.53) ASIC3DRD2DRD3PLAUPNMT
SCHEMBL30688443 0.93 PNMT (0.55) DRD2DRD3PNMTADRA2AADRA2B
SCHEMBL15331124 0.93 PNMT (0.55) DRD2DRD3PNMTADRA2AADRA2B
Hydrochloric Acid SCHEMBL29955415 0.91 PNMT (0.53) DRD2DRD3PNMTADRA2AADRA2B
Hydrochloric Acid SCHEMBL28685881 0.91 PNMT (0.53) DRD2DRD3PNMTADRA2AADRA2B
SCHEMBL12672783 0.84 CYP2A6 (0.42) PLAU
SCHEMBL30956943 0.84 CYP2A6 (0.42) PLAU
Hydrochloric Acid SCHEMBL28927078 0.82 CYP2A6 (0.41) PLAU
SCHEMBL25405565 0.81 ASIC3 (0.55) ASIC3DRD2DRD3PLAUPNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115260180-B Triazole condensed ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2024-05-28 CN disclosed
WO-2024047227-A1 SORTILIN MODULATORS INSUSENSE ApS (DK) 2024-03-07 WO disclosed
CN-115260180-A Triazole fused ring containing derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-11-01 CN disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
CN-106661034-B Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2019-11-29 CN disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
CN-106661034-A Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2017-05-10 CN disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150080426-A1 BENZOQUINOLINE INHIBITORS OF VMAT 2 AUSPEX PHARMACEUTICALS, INC. 2015-03-19 US disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
CN-103079558-A IRE-1 alpha inhibitors MANNKIND CORP 2013-05-01 CN disclosed
WO-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
EP-1366036-A2 COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI Allergan, Inc. (US) 2003-12-03 EP disclosed
US-20030078270-A1 Methods of providing and using compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN, INC. 2003-04-24 US disclosed
WO-2002018361-A2 COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI ALLERGAN, INC. (US) 2002-03-07 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 (3 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-20030078270-A1 Methods of providing and using compounds having activity as inhibitors of cytochrome P450RAI CYP26B1, CYP21A2, ALDH1A2 ASIC3 4700/4885DRD2 4525/4885DRD3 4186/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK ASIC3 3129/4885DRD2 2415/4885DRD3 2263/4885
US-20150080426-A1 BENZOQUINOLINE INHIBITORS OF VMAT 2 SLC18A2, ACAT2, SLC6A2 ASIC3 2190/4885DRD2 1650/4885DRD3 2087/4885

“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.