SCHEMBL232676

SCHEMBL232676

Oc1cc2c(cc1O)CNCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADCY6 O43306 1/20 0.77
ADCY3 O60266 1/20 0.77
ADCY9 O60503 1/20 0.77
ADCY5 O95622 1/20 0.77
ADCY8 P40145 1/20 0.77
ADCY7 P51828 1/20 0.77
ADCY2 Q08462 1/20 0.77
ADCY1 Q08828 1/20 0.77
ADCY4 Q8NFM4 1/20 0.77
PNMT P11086 6/20 0.50
ADRA2A P08913 2/20 0.50
ADRA2B P18089 2/20 0.50
ADRA2C P18825 2/20 0.50
ASIC3 Q9UHC3 1/20 0.50
CD44 P16070 1/20 0.48
MAOB P27338 1/20 0.48
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47

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
SCHEMBL30578817 1.00 ADCY6 (0.77) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL30578821 1.00 ADCY6 (0.77) ADCY6ADCY3ADCY9ADCY5ADCY8
Hydrochloric Acid SCHEMBL3322965 0.98 ADCY6 (0.74) ADCY6ADCY3ADCY9ADCY5ADCY8
Bromide SCHEMBL3503361 0.98 ADCY6 (0.74) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL5793449 0.87 ADCY6 (1.00) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL21465735 0.86 ADCY6 (0.57) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL21475687 0.86 ADCY6 (0.57) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL26318706 0.86 ADCY6 (0.57) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL3181183 0.86 ADCY6 (0.57) ADCY6ADCY3ADCY9ADCY5ADCY8
Bromide SCHEMBL11167892 0.85 ADCY6 (0.95) ADCY6ADCY3ADCY9ADCY5ADCY8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3270949-A2 INSULIN ANALOGUES CONTAINING A GLUCOSE-REGULATED CONFORMATIONAL SWITCH Case Western Reserve University (US) 2018-01-24 EP claimed
WO-2016149222-A2 INSULIN ANALOGUES CONTAINING A GLUCOSE-REGULATED CONFORMATIONAL SWITCH CASE WESTERN RESERVE UNIVERSITY (US) 2016-09-22 WO claimed
EP-2486404-A1 METABOLIC BIOMARKERS OF DRUG-INDUCED CARDIOTOXICITY Wisconsin Alumni Research Foundation (US) 2012-08-15 EP claimed
WO-2011044253-A1 METABOLIC BIOMARKERS OF DRUG-INDUCED CARDIOTOXICITY WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-04-14 WO claimed
US-20110081675-A1 Metabolic Biomarkers Of Drug-Induced Cardiotoxicity WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-04-07 US claimed
US-5317014-A Analgesics, antiinflammatory agents, antagonist, antiallergens or gastrointestinal disorders ADIR ET COMPAGNIE (FR) 1994-05-31 US claimed
EP-0517589-A2 Tachykinin derivatives, their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-12-09 EP claimed
US-12428428-B2 Tricyclic tetrahydroisoquinoline derivative, preparation method therefor and application thereof in medicine JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2025-09-30 US disclosed
CN-118290500-B New pyridine alkaloid compound in purslane, and extraction and separation method and application thereof 辽宁中医药大学 2025-05-02 CN disclosed
CN-119822992-A New amide alkaloid compound in purslane, and extraction and separation method and application thereof 辽宁中医药大学 2025-04-15 CN disclosed
EP-3270949-B1 INSULIN ANALOGUES CONTAINING A GLUCOSE-REGULATED CONFORMATIONAL SWITCH UNIV CASE WESTERN RESERVE (US) 2025-01-29 EP disclosed
CN-118290500-A New pyridine alkaloid compound in purslane, and extraction and separation method and application thereof 辽宁中医药大学 2024-07-05 CN disclosed
US-20240218041-A1 MOLECULAR DESIGN OF GLUCOSE SENSORS IN GLUCOSE-RESPONSIVE INSULIN ANALOGUES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-07-04 US disclosed
EP-0680323-B1 SYNERGISING ASSOCIATION HAVING AN ANTAGONIST EFFECT ON NK1 AND NK2 RECEPTORS RHONE POULENC RORER SA (FR) 1997-04-02 EP disclosed
EP-0680323-A1 SYNERGISING ASSOCIATION HAVING AN ANTAGONIST EFFECT ON NK1 AND NK2 RECEPTORS. RHONE POULENC RORER SA (FR) 1995-11-08 EP disclosed
WO-1994016697-A1 SYNERGISING ASSOCIATION HAVING AN ANTAGONIST EFFECT ON NK1 AND NK2 RECEPTORS RHONE-POULENC RORER S.A. (FR) 1994-08-04 WO disclosed
US-5317014-A Analgesics, antiinflammatory agents, antagonist, antiallergens or gastrointestinal disorders ADIR ET COMPAGNIE (FR) 1994-05-31 US disclosed
EP-0517589-A2 Tachykinin derivatives, their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-12-09 EP disclosed
EP-0485583-A1 USE OF TETRAHYDROISOQUINOLINE DERIVATIVES FOR PREPARING ANTITUMORAL DRUGS. ROUSSEL UCLAF (FR) 1992-05-20 EP disclosed
WO-1991018604-A1 USE OF TETRAHYDROISOQUINOLINE DERIVATIVES FOR PREPARING ANTITUMORAL DRUGS ROUSSEL-UCLAF (FR) 1991-12-12 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 (2 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-12428428-B2 Tricyclic tetrahydroisoquinoline derivative, preparation method therefor and application thereof in medicine CYP19A1, GPER1, HSD17B11 ADCY6 3057/4885ADCY3 3695/4885ADCY9 4008/4885
US-20240218041-A1 MOLECULAR DESIGN OF GLUCOSE SENSORS IN GLUCOSE-RESPONSIVE INSULIN ANALOGUES IAPP, GPR119, INSR ADCY6 884/4885ADCY3 1173/4885ADCY9 528/4885

“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.