SCHEMBL4020828

SCHEMBL4020828

COC(=O)C1CCCCNC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
SLC6A11 P48066 1/20 0.52
TSHR P16473 1/20 0.52
LMNA P02545 1/20 0.52
SLC6A13 Q9NSD5 1/20 0.52
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
CYP2D6 P10635 1/20 0.50
CHRNB2 P17787 2/20 0.48
CHRNA4 P43681 2/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA7 P36544 1/20 0.48
NOS2 P35228 1/20 0.41
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.37
CCR2 P41597 1/20 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
Hydrochloric Acid SCHEMBL6380748 0.98 SLC6A1 (0.50) SLC6A1SMN1; SMN2SLC6A11TSHRLMNA
SCHEMBL4673135 0.94 SLC6A1 (0.59) SLC6A1SMN1; SMN2SLC6A11TSHRLMNA
SCHEMBL763374 0.94 SLC6A1 (0.59) SLC6A1SMN1; SMN2SLC6A11TSHRLMNA
SCHEMBL13598498 0.94 SLC6A1 (0.59) SLC6A1SMN1; SMN2SLC6A11TSHRLMNA
Hydrochloric Acid SCHEMBL30493397 0.92 SLC6A1 (0.57) SLC6A1SMN1; SMN2SLC6A11TSHRLMNA
Hydrochloric Acid SCHEMBL30493363 0.92 SLC6A1 (0.57) SLC6A1SMN1; SMN2SLC6A11TSHRLMNA
Hydrochloric Acid SCHEMBL21224938 0.92 SLC6A1 (0.57) SLC6A1SMN1; SMN2SLC6A11TSHRLMNA
Hydrochloric Acid SCHEMBL28798276 0.92 SLC6A1 (0.57) SLC6A1SMN1; SMN2SLC6A11TSHRLMNA
Benzene SCHEMBL27525396 0.89 SLC6A1 (0.58) SLC6A1SMN1; SMN2SLC6A11TSHRLMNA
SCHEMBL28418973 0.86 SMN1; SMN2 (0.56) SLC6A1SMN1; SMN2SLC6A11TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4712961-A2 KRAS G12S AND G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2026-03-25 EP disclosed
WO-2024238633-A2 KRAS G12S AND G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2024-11-21 WO disclosed
US-20220220117-A1 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2022-07-14 US disclosed
US-11312719-B2 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use MERCK SHARP & DOHME CORP. (US) 2022-04-26 US disclosed
US-20210107904-A1 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2021-04-15 US disclosed
EP-1988078-B1 Carboxamide derivatives of pyrrolidine, piperidine and hexahydroazepine for the treatment of thrombosis disorders ORTHO MCNEIL PHARM INC (US) 2012-10-17 EP disclosed
EP-1184374-B1 Carboxamide derivatives of pyrrolidine, piperidine and hexahydroazepine for the treatment of thrombosis disorders ORTHO MCNEIL PHARM INC (US) 2009-01-28 EP disclosed
EP-1988078-A1 Carboxamide derivatives of pyrrolidine, piperidine and hexahydroazepine for the treatment of thrombosis disorders Ortho-McNeil Pharmaceutical, Inc. (US) 2008-11-05 EP disclosed
EP-0923555-B1 CARBOXAMIDE DERIVATIVES OF PYRROLIDINE, PIPERIDINE AND HEXAHYDROAZEPINE FOR THE TREATMENT OF THROMBOSIS DISORDERS ORTHO MCNEIL PHARM INC (US) 2005-06-15 EP disclosed
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP disclosed
EP-1184374-A1 Carboxamide derivatives of pyrrolidine, piperidine and hexahydroazepine for the treatment of thrombosis disorders ORTHO PHARMACEUTICAL CORPORATION (US) 2002-03-06 EP disclosed
CN-1286684-A Carboxamide derivs. of pyrrolidine, piperidine and hexahydroazepine for treatment of thrombosis disorders ORTHO PHARMA CORP (US) 2001-03-07 CN disclosed
US-6069254-A Carboxamide derivatives of piperidine for the treatment of thrombosis disorders ORTHO PHARMACEUTICAL CORP. (US) 2000-05-30 US disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US disclosed
EP-0923555-A1 CARBOXAMIDE DERIVATIVES OF PYRROLIDINE, PIPERIDINE AND HEXAHYDROAZEPINE FOR THE TREATMENT OF THROMBOSIS DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1999-06-23 EP disclosed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP disclosed
WO-1997041102-A1 CARBOXAMIDE DERIVATIVES OF PYRROLIDINE, PIPERIDINE AND HEXAHYDROAZEPINE FOR THE TREATMENT OF THROMBOSIS DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-11-06 WO disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 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-20220220117-A1 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2A, ADORA2B, ADORA3 SLC6A1 1877/4885SMN1; SMN2 3440/4885SLC6A11 2189/4885
US-11312719-B2 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use ADORA2A, ADORA2B, ADORA3 SLC6A1 1877/4885SMN1; SMN2 3440/4885SLC6A11 2189/4885
US-20210107904-A1 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2A, ADORA2B, ADORA3 SLC6A1 1877/4885SMN1; SMN2 3440/4885SLC6A11 2189/4885

“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.