SCHEMBL3937460

SCHEMBL3937460

Nc1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.87

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.87
PTGS1 P23219 1/20 0.87
PTGS2 P35354 1/20 0.87
PSMB1 P20618 7/20 0.70
PSMB5 P28074 7/20 0.70
PSMB2 P49721 6/20 0.70
HRH3 Q9Y5N1 5/20 0.68
KCNH2 Q12809 1/20 0.65

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
SCHEMBL23724061 1.00 LTA4H (0.87) LTA4HPTGS1PTGS2PSMB1PSMB5
Hydrochloric Acid SCHEMBL3997911 0.98 LTA4H (0.84) LTA4HPTGS1PTGS2PSMB1PSMB5
SCHEMBL56495 0.98 LTA4H (0.90) LTA4HPTGS1PTGS2PSMB1PSMB5
Hydrochloric Acid SCHEMBL15254264 0.96 LTA4H (0.87) LTA4HPTGS1PTGS2PSMB1PSMB5
SCHEMBL4465869 0.91 HRH3 (0.75) LTA4HPTGS1PTGS2HRH3KCNH2
SCHEMBL2968936 0.91 HRH3 (0.75) LTA4HPTGS1PTGS2HRH3KCNH2
SCHEMBL4993214 0.90 HRH3 (0.73) LTA4HPTGS1PTGS2HRH3KCNH2
Hydrochloric Acid SCHEMBL736843 0.90 HRH3 (0.73) LTA4HPTGS1PTGS2HRH3KCNH2
SCHEMBL4457910 0.89 LTA4H (0.76) LTA4HPTGS1PTGS2HRH3KCNH2
SCHEMBL3398830 0.89 LTA4H (0.75) LTA4HPTGS1PTGS2PSMB1PSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57188567-A None JP disclosed
US-20240246920-A1 TRIAZOLE DERIVATIVES WITH ANTIFUNGAL ACTIVITY KING'S COLLEGE LONDON (GB) 2024-07-25 US disclosed
EP-4100400-A1 TRIAZOLE DERIVATIVES WITH ANTIFUNGAL ACTIVITY Kings College London (GB) 2022-12-14 EP disclosed
US-20220144844-A1 SELECTIVE DIHYDROPYRROLOPYRIMIDINE JAK2 INHIBITORS Shanghai Xunhe Pharmaceutical Technology Co. Ltd. (CN) 2022-05-12 US disclosed
WO-2021156636-A1 TRIAZOLE DERIVATIVES WITH ANTIFUNGAL ACTIVITY KING'S COLLEGE LONDON (GB) 2021-08-12 WO disclosed
WO-2021017384-A1 DIHYDRO-PYRROLO-PYRIMIDINE SELECTIVE JAK2 INHIBITOR 上海勋和医药科技有限公司 2021-02-04 WO disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-10683282-B2 Multi-substituted pyrimidine derivatives with excellent kinase inhibitory activities KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2020-06-16 US disclosed
US-10683282-B2 Multi-substituted pyrimidine derivatives with excellent kinase inhibitory activities KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2020-06-16 US disclosed
US-20190315726-A1 MULTI-SUBSTITUTED PYRIMIDINE DERIVATIVES WITH EXCELLENT KINASE INHIBITORY ACTIVITIES KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2019-10-17 US disclosed
US-20030130165-A1 Method for treating neurodegenerative disorders REITZ ALLEN B (US) 2003-07-10 US disclosed
US-6545035-B1 Having effect on various kinases and cycline/CDK complexes and on the proliferation of various tumour cells. BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-04-08 US disclosed
US-6441049-B2 Method of treating neurodegenerative disorders via inhibition of amyloid beta peptide binding ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-27 US disclosed
US-20020013374-A1 METHOD OF TREATING NEURODEGENERATIVE DISORDERS VIA INHIBITION OF AMYLOID BETA PEPTIDE BINDING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-01-31 US disclosed
US-6319918-B1 FOR LYMPHOMA OR SOLID TUMORS TREATMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-20 US disclosed
EP-1100779-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2001-05-23 EP disclosed
EP-1083889-A2 METHOD FOR TREATING NEURODEGENERATIVE DISORDERS Ortho-McNeil Pharmaceutical, Inc. (US) 2001-03-21 EP disclosed
WO-1999062505-A2 METHOD FOR TREATING NEURODEGENERATIVE DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-12-09 WO disclosed
WO-1999062882-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-12-09 WO disclosed
JP-S57188567-A NOVEL PREPARATION OF ETOMIDOLINE FUJIMOTO SEIYAKU KK 1982-11-19 JP 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 (7 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-10683282-B2 Multi-substituted pyrimidine derivatives with excellent kinase inhibitory activities JAK1, NUAK1, JAK2 LTA4H 4416/4885PTGS1 1472/4885PTGS2 3096/4885
US-20020013374-A1 METHOD OF TREATING NEURODEGENERATIVE DISORDERS VIA INHIBITION OF AMYLOID BETA PEPTIDE BINDING ACHE, CHRNA7, APP LTA4H 1944/4885PTGS1 3840/4885PTGS2 4056/4885
US-20240246920-A1 TRIAZOLE DERIVATIVES WITH ANTIFUNGAL ACTIVITY RIF1, NAT1, POLR1C LTA4H 2619/4885PTGS1 2856/4885PTGS2 4083/4885
US-20220144844-A1 SELECTIVE DIHYDROPYRROLOPYRIMIDINE JAK2 INHIBITORS JAK2, JAK1, JAK3 LTA4H 3498/4885PTGS1 776/4885PTGS2 611/4885
US-20190315726-A1 MULTI-SUBSTITUTED PYRIMIDINE DERIVATIVES WITH EXCELLENT KINASE INHIBITORY ACTIVITIES JAK1, NUAK1, JAK2 LTA4H 4416/4885PTGS1 1472/4885PTGS2 3096/4885
US-20030130165-A1 Method for treating neurodegenerative disorders ACHE, CHRNA7, PARK7 LTA4H 970/4885PTGS1 2735/4885PTGS2 2741/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK LTA4H 1373/4885PTGS1 1996/4885PTGS2 1885/4885

“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.