SCHEMBL491780

SCHEMBL491780

O=C1CCCCCN1C1CCCCCC1

nearest known ligand 0.96

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
LTA4H P09960 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
CYP2D6 P10635 1/20 0.38
HRH1 P35367 1/20 0.38
NPY5R Q15761 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL4941511 1.00 NOS3 (0.42) NOS3NOS1DPP4DPP8DPP9
SCHEMBL1954285 1.00 NOS3 (0.42) NOS3NOS1DPP4DPP8DPP9
SCHEMBL10633018 1.00 NOS3 (0.42) NOS3NOS1DPP4DPP8DPP9
SCHEMBL868782 1.00 NOS3 (0.42) NOS3NOS1DPP4DPP8DPP9
SCHEMBL8031217 1.00 NOS3 (0.42) NOS3NOS1DPP4DPP8DPP9
SCHEMBL10427141 1.00 NOS3 (0.42) NOS3NOS1DPP4DPP8DPP9
SCHEMBL33526075 1.00 NOS3 (0.42) NOS3NOS1DPP4DPP8DPP9
SCHEMBL867932 1.00 NOS3 (0.42) NOS3NOS1DPP4DPP8DPP9
SCHEMBL6088399 1.00 NOS3 (0.42) NOS3NOS1DPP4DPP8DPP9
SCHEMBL19271810 0.98 NOS3 (0.43) NOS3NOS1DPP4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116390727-A N-linked isoquinolinamides as LRRK2 inhibitors, pharmaceutical compositions and uses thereof 默沙东有限责任公司 2023-07-04 CN claimed
US-12600733-B2 KRAS inhibitors ELI LILLY AND COMPANY (US) 2026-04-14 US disclosed
US-20260092075-A1 KRAS INHIBITORS LILLY CO ELI (US) 2026-04-02 US disclosed
CN-116390727-A N-linked isoquinolinamides as LRRK2 inhibitors, pharmaceutical compositions and uses thereof 默沙东有限责任公司 2023-07-04 CN disclosed
CN-110787300-B Composition containing sodium hyaluronate and preparation and application thereof 中山万远新药研发有限公司 2020-09-22 CN disclosed
CN-110787300-A Composition containing sodium hyaluronate and preparation and application thereof 中山万远新药研发有限公司 2020-02-14 CN disclosed
EP-1708765-B1 BIOCOMPATIBLE POLYMERIZATION ACCELERATORS SURMODICS INC (US) 2016-08-31 EP disclosed
US-8273891-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-09-25 US disclosed
US-8202833-B2 Coating of polymer containing N-vinyl groups on cells, tissue SURMODICS, INC. (US) 2012-06-19 US disclosed
US-8106066-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-01-31 US disclosed
EP-1221440-A1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators Otsuka Pharmaceutical Company, Limited (JP) 2002-07-10 EP disclosed
US-20020049194-A1 Benzoheterocyclic derivatives OGAWA HIDENORI (JP) 2002-04-25 US disclosed
US-6335327-B1 Benzoheterocyclic derivatives OTSUKA PHARMACEUTICALS CO., LTD. (JP) 2002-01-01 US disclosed
EP-0828740-B1 2-AZABICYCLO[2.2.1]HEPTANE DERIVATIVES, PREPARATION AND APPLICATION THEREOF AVENTIS PHARMA SA (FR) 2001-09-05 EP disclosed
US-6096735-A Benzoheterocyclic derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 US disclosed
CN-1150799-A Benzoheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 1997-05-28 CN disclosed
EP-0765314-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-02 EP disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 WO disclosed
EP-0424064-B1 Chiral azabicyloheptanone and a process for their preparation CHIROSCIENCE LTD (GB) 1995-02-08 EP disclosed
EP-0424064-A1 Chiral azabicyloheptanone and a process for their preparation Chiroscience Limited (GB) 1991-04-24 EP 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-12600733-B2 KRAS inhibitors KRAS, NRAS, HRAS NOS3 3996/4885NOS1 4180/4885DPP4 4080/4885
US-20020049194-A1 Benzoheterocyclic derivatives AVPR2, AVPR1A, AVPR1B NOS3 1685/4885NOS1 1195/4885DPP4 1742/4885
US-20260092075-A1 KRAS INHIBITORS KRAS, NRAS, HRAS NOS3 3928/4885NOS1 4063/4885DPP4 4053/4885

“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.