SCHEMBL796789

SCHEMBL796789

c1ccc(OCC2CCNCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.68
SLC6A4 P31645 5/20 0.68
HTR3A P46098 2/20 0.68
KCNH2 Q12809 2/20 0.68
TDP1 Q9NUW8 1/20 0.67
EP300 Q09472 1/20 0.58
SLC6A3 Q01959 4/20 0.58
KDM1A O60341 2/20 0.54
MAOB P27338 1/20 0.53
HRH1 P35367 1/20 0.53
GBA1 P04062 1/20 0.53

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 SCHEMBL1475614 0.98 TDP1 (0.70) SLC6A2SLC6A4HTR3AKCNH2TDP1
SCHEMBL35429 0.89 SLC6A2 (0.69) SLC6A2SLC6A4HTR3AKCNH2TDP1
SCHEMBL27972144 0.89 SLC6A2 (0.69) SLC6A2SLC6A4HTR3AKCNH2TDP1
SCHEMBL26668494 0.87 SLC6A2 (0.71) SLC6A2SLC6A4HTR3AKCNH2TDP1
SCHEMBL1990800 0.86 TDP1 (0.57) TDP1
Tert-Butyl Formate SCHEMBL27911375 0.84 TDP1 (0.54) SLC6A2SLC6A4HTR3AKCNH2TDP1
SCHEMBL13096959 0.83 SLC6A2 (0.61) SLC6A2SLC6A4HTR3AKCNH2TDP1
SCHEMBL3251306 0.82 SLC6A2 (0.72) SLC6A2SLC6A4HTR3AKCNH2TDP1
SCHEMBL10533845 0.82 PARP15 (0.56) TDP1
Hydrochloric Acid SCHEMBL3096005 0.82 SLC6A2 (0.59) SLC6A2SLC6A4HTR3AKCNH2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103179976-A Glucagon superfamily peptides exhibiting g protein-coupled receptor activity MARCADIA BIOTECH INC 2013-06-26 CN claimed
US-20130116172-A1 GLUCAGON SUPERFAMILY PEPTIDES EXHBITING G PROTEIN COUPLED RECEPTOR ACTIVITY MARCADIA BIOTECH, INC. (US) 2013-05-09 US claimed
EP-2568993-A1 GLUCAGON SUPERFAMILY PEPTIDES EXHIBITING G PROTEIN-COUPLED RECEPTOR ACTIVITY Indiana University Research and Technology Corporation (US) 2013-03-20 EP claimed
WO-2011143208-A1 GLUCAGON SUPERFAMILY PEPTIDES EXHIBITING G PROTEIN-COUPLED RECEPTOR ACTIVITY INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2011-11-17 WO claimed
US-4243807-A CHEMICAL INTERMEDIATES FOR HYPOTENSIVE AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1981-01-06 US claimed
US-20260022130-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2026-01-22 US disclosed
US-12281124-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors HOFFMANN-LA ROCHE INC. (US) 2025-04-22 US disclosed
US-20250115571-A1 OXOPIPERAZINE DERIVATIVES Inthera Bioscience AG (CH) 2025-04-10 US disclosed
EP-4474017-A2 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-11 EP disclosed
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2024-07-04 US disclosed
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2024-07-04 US disclosed
EP-3837263-B1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN LA ROCHE (CH) 2024-07-03 EP disclosed
EP-0014928-B1 PIPERIDINOPROPYL DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1982-05-05 EP disclosed
US-4288442-A Inhibiting adrenergic β-receptors with piperidinopropyl derivatives BOEHRINGER MANNHEIM GMBH (DE) 1981-09-08 US disclosed
US-4243807-A CHEMICAL INTERMEDIATES FOR HYPOTENSIVE AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1981-01-06 US disclosed
US-4243807-A CHEMICAL INTERMEDIATES FOR HYPOTENSIVE AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1981-01-06 US disclosed
US-4243807-A CHEMICAL INTERMEDIATES FOR HYPOTENSIVE AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1981-01-06 US disclosed
EP-0014928-A1 Piperidinopropyl derivatives, process for their preparation and medicaments containing these compounds Roche Diagnostics GmbH (DE) 1980-09-03 EP disclosed
US-4146630-A HYPOTENSIVE AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1979-03-27 US disclosed
US-4086347-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANTIEDEMIC AGENTS, HYPOTENSIVES BOEHRINGER MANNHEIM GMBH (DT) 1978-04-25 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 (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-20130116172-A1 GLUCAGON SUPERFAMILY PEPTIDES EXHBITING G PROTEIN COUPLED RECEPTOR ACTIVITY GCGR, GLP1R, GIPR SLC6A2 2352/4885SLC6A4 2861/4885HTR3A 1189/4885
US-20260022130-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LIPA, LPL SLC6A2 4083/4885SLC6A4 4451/4885HTR3A 2427/4885
US-12281124-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors LIPC, LPL, MGLL SLC6A2 4730/4885SLC6A4 4796/4885HTR3A 3297/4885
US-20250115571-A1 OXOPIPERAZINE DERIVATIVES CYP3A5, AQP1, AVPR2 SLC6A2 812/4885SLC6A4 1254/4885HTR3A 401/4885
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME ADORA2A, ADORA1, ADORA2B SLC6A2 641/4885SLC6A4 743/4885HTR3A 40/4885

“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.