SCHEMBL4138659

SCHEMBL4138659

COc1ccc2c(c1)CCC(C)N2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.47
DRD3 P35462 6/20 0.47
HTR2C P28335 3/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
HTR2B P41595 2/20 0.42
HTR2A P28223 1/20 0.42
CYP19A1 P11511 3/20 0.42
CYP26A1 O43174 1/20 0.42
BCL2 P10415 1/20 0.41
DRD4 P21917 2/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40

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
SCHEMBL11087883 0.83 PDE3B (0.45) DRD2DRD3HTR2CPDE3BPDE3A
SCHEMBL10840936 0.83 PPARD (0.41) DRD2PDE3BPDE3AHTR2AMTNR1A
SCHEMBL6757612 0.81 AR (0.43) DRD2HTR2A
SCHEMBL5681873 0.80 ESR1 (0.57) DRD2DRD3HTR2CPDE3BPDE3A
SCHEMBL11748097 0.78 DRD2 (0.43) DRD2DRD3HTR2CPDE3BPDE3A
SCHEMBL21243002 0.77 AR (0.40) DRD2
SCHEMBL30499354 0.77 AR (0.40) DRD2
SCHEMBL13091374 0.77 AR (0.40) DRD2
SCHEMBL4133012 0.77 AR (0.40) DRD2
SCHEMBL5682850 0.77 ESR1 (0.51) DRD2DRD3CYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321730-B2 Method of making and administering quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2016-04-26 US claimed
EP-2188259-B1 QUINOLINE DERIVATIVES AS ANTI-CANCER AGENTS UNIV HONG KONG POLYTECHNIC (CN) 2013-11-06 EP claimed
US-20090054482-A1 Method of making and administering quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-02-26 US claimed
CN-116272943-B Carbon-based nonmetallic catalyst and preparation method and application thereof 遵义医科大学 2024-06-11 CN disclosed
CN-116272943-A Carbon-based nonmetallic catalyst and preparation method and application thereof 遵义医科大学 2023-06-23 CN disclosed
CN-109988106-B Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine 广东东阳光药业有限公司 2023-03-31 CN disclosed
CN-113264876-B Method for selectively catalyzing and hydrogenating aromatic heterocyclic compounds by non-hydrogen participation 延安大学 2022-11-29 CN disclosed
CN-113264876-A Method for selectively catalyzing and hydrogenating aromatic heterocyclic compounds by non-hydrogen participation 延安大学 2021-08-17 CN disclosed
EP-2733138-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE TETRAHYDROQUINOLINE HAMARI CHEMICALS LTD (JP) 2016-09-28 EP disclosed
US-9321730-B2 Method of making and administering quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2016-04-26 US disclosed
US-9321730-B2 Method of making and administering quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2016-04-26 US disclosed
EP-2733138-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE TETRAHYDROQUINOLINE Hamari Chemicals, Ltd. (JP) 2014-05-21 EP disclosed
EP-2188259-B1 QUINOLINE DERIVATIVES AS ANTI-CANCER AGENTS UNIV HONG KONG POLYTECHNIC (CN) 2013-11-06 EP disclosed
US-20090054482-A1 Method of making and administering quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-02-26 US disclosed
US-20090054482-A1 Method of making and administering quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-02-26 US disclosed
US-20090054482-A1 Method of making and administering quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-02-26 US disclosed
US-4014877-A MICROBIOCIDES RIKER LABORATORIES, INC. (US) 1977-03-29 US disclosed
US-4001243-A ANTI-MICROBIAL RIKER LABORATORIES, INC. (US) 1977-01-04 US disclosed
US-3985882-A ADMISTERING RIKER LABORATORIES, INC. (US) 1976-10-12 US disclosed
US-3969463-A MICROBIOCIDE RIKER LABORATORIES, INC. (US) 1976-07-13 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 (1 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-20090054482-A1 Method of making and administering quinoline derivatives as anti-cancer agents HCCS, GLS2, NQO1 DRD2 3202/4885DRD3 3826/4885HTR2C 2371/4885

“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.