SCHEMBL2086488

SCHEMBL2086488

O=C1Nc2ccccc2CCc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.62
▸ MAPK13 O15264 1/20 0.62
▸ MAPK12 P53778 1/20 0.62
▸ MAPK11 Q15759 1/20 0.62
▸ MAPK14 Q16539 1/20 0.62
▸ PDGFRA P16234 1/20 0.55
▸ FER P16591 1/20 0.55
▸ LTK P29376 1/20 0.55
▸ CDK8 P49336 1/20 0.55
▸ ACVR1 Q04771 1/20 0.55
▸ LRRK2 Q5S007 1/20 0.55
▸ DYRK1B Q9Y463 1/20 0.55
▸ PDPK1 O15530 1/20 0.55
▸ PARP1 P09874 1/20 0.55
▸ PARP10 Q53GL7 1/20 0.55
▸ PARP11 Q9NR21 1/20 0.55
▸ TDP2 O95551 1/20 0.55
▸ CASP3 P42574 1/20 0.55
▸ CASP7 P55210 1/20 0.55
▸ CASP9 P55211 1/20 0.55

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
SCHEMBL2087698 0.84 TDP2 (0.66) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL9025701 0.82 TDP2 (0.68) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL9056394 0.82 NPC1 (0.64) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL18020364 0.81 CSNK1G1 (0.56) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL13629274 0.80 CYP1A2 (0.54) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL13629289 0.80 CYP1A2 (0.54) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6469101 0.79 NPC1 (0.72) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL407439 0.78 NPC1 (0.70) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL14084317 0.77 TDP2 (0.61) PDGFRAFERLTKCDK8ACVR1
SCHEMBL10032 0.77 NPC1 (1.00) NPC1MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021190-B1 Amid derivatives as growth hormone release promotors KAKEN PHARMA CO LTD (JP) 2006-11-08 — — EP claimed
WO-2023141855-A1 PROTEIN CONJUGATES WITH MULTIPLE PAYLOADS AND METHODS FOR MAKING THE SAME GLYCO-THERAPY BIOTECHNOLOGY CO., LTD. (CN) 2023-08-03 — — WO disclosed
WO-2023065137-A1 SITE-SPECIFIC GLYCOPROTEIN CONJUGATES AND METHODS FOR MAKING THE SAME GLYCO-THERAPY BIOTECHNOLOGY CO., LTD. (CN) 2023-04-27 — — WO disclosed
EP-2966078-A2 Inhibitors of histone deacetylase MethylGene Inc. (CA) 2016-01-13 — — EP disclosed
US-7897788-B2 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-03-01 — — US disclosed
EP-1740171-B1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-06-09 — — EP disclosed
US-20080027038-A1 N-Acylated lipophilic amino acid derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2008-01-31 — — US disclosed
US-7279573-B2 Amide derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2007-10-09 — — US disclosed
US-20070208004-A1 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-09-06 — — US disclosed
EP-1021190-B1 Amid derivatives as growth hormone release promotors KAKEN PHARMA CO LTD (JP) 2006-11-08 — — EP disclosed
EP-0875787-A1 Method for reducing the substrate dependence of resist Wako Pure Chemical Industries, Ltd. (JP) 1998-11-04 — — EP disclosed
EP-0579263-B1 1,4-Substituted piperidines as acetylchozinesterase inhibitors and their use for the treatment of Alzheimer's disease EISAI CO LTD (JP) 1998-09-16 — — EP disclosed
US-5643872-A ANTIAGGLOMERANTS FOR PLATELETS, ANTICOAGULANTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-01 — — US disclosed
WO-1996005185-A1 NOVEL ALKYLAMINO DERIVATIVES AS SIGMA 2 SELECTIVE LIGANDS MITSUBISHI CHEMICAL CORPORATION (JP) 1996-02-22 — — WO disclosed
EP-0673927-A1 4-[2-indanyl-1-one]alkylpiperidines as anticholinergic agents Eisai Co., Ltd. (JP) 1995-09-27 — — EP disclosed
EP-0579263-A1 1,4-Substituted piperidines as acetylchozinesterase inhibitors and their use for the treatment of Alzheimer's disease Eisai Co., Ltd. (JP) 1994-01-19 — — EP disclosed
US-5100901-A Treatment of Alzheimer*s disease EISAI CO., LTD. (JP) 1992-03-31 — — US disclosed
US-4895841-A Cyclic amine compounds with activity against acetylcholinesterase EISAI CO., LTD. (JP) 1990-01-23 — — US disclosed
US-4888335-A HYPOTENSIVE AGENTS MCNEILAB, INC. (US) 1989-12-19 — — US disclosed
EP-0296560-A2 1,4-Substituted piperidines as acetylcholinesterase inhibitors and their use for the treatment of Alzheimer's disease Eisai Co., Ltd. (JP) 1988-12-28 — — 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 (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-20070208004-A1 Indol-1-yl-acetic acid derivatives IDO1, IDO2, AANAT NPC1 1800/4885MAPK13 2988/4885MAPK12 2532/4885
US-20080027038-A1 N-Acylated lipophilic amino acid derivatives GHRHR, NPPA, SSTR5 NPC1 365/4885MAPK13 3094/4885MAPK12 2823/4885

“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.

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