SCHEMBL2913248

SCHEMBL2913248

COc1ccc2c(c1)CNCCC2

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.54
RYR2 Q92736 1/20 0.54
DRD2 P14416 5/20 0.48
DRD3 P35462 5/20 0.48
DRD1 P21728 5/20 0.48
DRD4 P21917 4/20 0.48
DRD5 P21918 4/20 0.48
HTR2C P28335 4/20 0.46
HTR2B P41595 3/20 0.46
HTR2A P28223 1/20 0.46
PNMT P11086 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL29758918 0.93 KCNH2 (0.54) KCNH2RYR2DRD2DRD3DRD1
SCHEMBL4859823 0.93 KCNH2 (0.54) KCNH2RYR2DRD2DRD3DRD1
Hydrochloric Acid SCHEMBL17965624 0.92 KCNH2 (0.53) KCNH2RYR2DRD2DRD3DRD1
SCHEMBL746109 0.89 HTR2C (0.57) KCNH2RYR2DRD2DRD3HTR2C
SCHEMBL29558442 0.89 HTR2C (0.57) KCNH2RYR2DRD2DRD3HTR2C
Hydrochloric Acid SCHEMBL31062521 0.88 HTR2C (0.55) KCNH2RYR2HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL1124555 0.88 HTR2C (0.55) KCNH2RYR2HTR2CHTR2BHTR2A
Formaldehyde SCHEMBL30554785 0.85 PNMT (0.55) KCNH2RYR2HTR2CHTR2BHTR2A
SCHEMBL8467911 0.82 CD274 (0.59) KCNH2RYR2DRD2DRD3DRD1
SCHEMBL532484 0.82 CD274 (0.59) KCNH2RYR2DRD2DRD3DRD1

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
EP-4660181-A1 NAV1.7- AND/OR NAV1.8-INHIBITING HYDRAZIDES, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS Eurofarma Laboratórios S.A. (BR) 2025-12-10 EP disclosed
WO-2024159284-A1 NAV1.7- AND/OR NAV1.8-INHIBITING HYDRAZIDES, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS EUROFARMA LABORATÓRIOS S.A. (BR) 2024-08-08 WO disclosed
US-RE49481-E1 Compounds for the treatment and prophylaxis of respiratory syncytial virus disease HOFFMANN-LA ROCHE INC. (US) 2023-04-04 US disclosed
US-11180482-B2 Anilinopyrimidines as haematopoietic progenitor kinase 1 (HPK1) inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2021-11-23 US disclosed
WO-2018102366-A1 ANILINOPYRIMIDINES AS HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2018-06-07 WO disclosed
EP-2742039-B1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE HOFFMANN LA ROCHE (CH) 2015-09-16 EP disclosed
US-8871756-B2 Compounds for the treatment and prophylaxis of Respiratory Syncytial Virus disease HOFFMANN-LA ROCHE INC. (US) 2014-10-28 US disclosed
EP-2742039-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE F. Hoffmann-La Roche AG (CH) 2014-06-18 EP disclosed
US-20130196974-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE HOFFMANN-LA ROCHE INC. 2013-08-01 US disclosed
WO-2013020993-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-14 WO disclosed
WO-2008144483-A2 AGENTS FOR TREATING DISORDERS INVOLVING MODULATION OF RYANODINE RECEPTORS ARMGO PHARMA, INC. (US) 2008-11-27 WO disclosed
WO-2008144483-A2 AGENTS FOR TREATING DISORDERS INVOLVING MODULATION OF RYANODINE RECEPTORS ARMGO PHARMA, INC. (US) 2008-11-27 WO disclosed
WO-2008054605-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2008-05-08 WO disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO disclosed
EP-1070714-A9 AMIDINE COMPOUNDS JAPAN TOBACCO INC. (JP) 2005-10-19 EP disclosed
EP-1070714-B1 AMIDINE COMPOUNDS JAPAN TOBACCO INC (JP) 2004-08-04 EP disclosed
US-20040006099-A1 Amidine compounds JAPAN TOBACCO INC. 2004-01-08 US disclosed
US-6562828-B1 Novel amidine compound having a blood coagulation factor Xa inhibitory activity JAPAN TOBACCO INC. (JP) 2003-05-13 US disclosed
EP-1122252-A1 NITROGENOUS FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 2001-08-08 EP disclosed
EP-1070714-A1 AMIDINE COMPOUNDS JAPAN TOBACCO INC. (JP) 2001-01-24 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-20040006099-A1 Amidine compounds F2, SERPINC1, F12 KCNH2 1760/4885RYR2 2760/4885DRD2 2615/4885
US-20130196974-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE CFTR, H1-10, RECQL KCNH2 1726/4885RYR2 2600/4885DRD2 2328/4885
US-11180482-B2 Anilinopyrimidines as haematopoietic progenitor kinase 1 (HPK1) inhibitors STK16, STK4, STK26 KCNH2 3880/4885RYR2 4408/4885DRD2 3999/4885

“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.