SCHEMBL658968

SCHEMBL658968

NCCN1CCN(c2ccccc2)CC1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.79
KCNH2 Q12809 1/20 0.69
SIGMAR1 Q99720 5/20 0.67
DRD2 P14416 3/20 0.67
HTR1A P08908 3/20 0.65
CHRNA7 P36544 1/20 0.60
DRD4 P21917 1/20 0.58
DRD3 P35462 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HTR2A P28223 1/20 0.57
HRH1 P35367 1/20 0.57
TMEM97 Q5BJF2 1/20 0.57
HTR7 P34969 1/20 0.56

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
SCHEMBL10684565 1.00 CYP2D6 (0.79) CYP2D6KCNH2SIGMAR1DRD2HTR1A
SCHEMBL5187793 0.89 CYP2D6 (1.00) CYP2D6KCNH2SIGMAR1DRD2HTR1A
SCHEMBL9041083 0.87 KCNH2 (0.80) CYP2D6KCNH2SIGMAR1DRD2HTR1A
Hydrochloric Acid SCHEMBL7986315 0.87 CYP2D6 (0.96) CYP2D6KCNH2SIGMAR1DRD2HTR1A
SCHEMBL3025110 0.87 CYP2D6 (0.90) CYP2D6KCNH2SIGMAR1DRD2HTR1A
SCHEMBL11355026 0.85 CYP2D6 (0.87) CYP2D6KCNH2SIGMAR1DRD2HTR1A
SCHEMBL11250712 0.85 CYP2D6 (0.87) CYP2D6KCNH2SIGMAR1DRD2HTR1A
Hydrochloric Acid SCHEMBL7971932 0.85 CYP2D6 (0.87) CYP2D6KCNH2SIGMAR1DRD2HTR1A
SCHEMBL11242236 0.85 CYP2D6 (0.87) CYP2D6KCNH2SIGMAR1DRD2HTR1A
SCHEMBL5988317 0.83 KCNH2 (0.88) CYP2D6KCNH2SIGMAR1DRD2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
WO-2010008775-A1 AMINOPYRIDOPYRAZINONE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES LIGAND PHARMACEUTICALS INC. (US) 2010-01-21 WO claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed
CN-122010947-A Antagonists of adenosine A2a receptors 阿道尔克斯治疗有限公司 2026-05-12 CN disclosed
EP-3796900-B1 TRITERPENE AMINE DERIVATIVES DFH THERAPEUTICS (US) 2026-04-08 EP disclosed
WO-2024233922-A2 PYRIDINE-PIPERAZINE-BASED SCAFFOLDS AS HIGHLY POTENT AND SELECTIVE NEUROLYSIN ACTIVATORS TEXAS TECH UNIVERSITY SYSTEM (US) 2024-11-14 WO disclosed
CN-115996929-A Antagonists of adenosine A2a receptors 阿道尔克斯治疗有限公司 2023-04-21 CN disclosed
EP-4146654-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR Adorx therapeutics Limited (GB) 2023-03-15 EP disclosed
US-11236122-B2 Triterpene amine derivatives DFH THERAPEUTICS (US) 2022-02-01 US disclosed
US-11236122-B2 Triterpene amine derivatives DFH THERAPEUTICS (US) 2022-02-01 US disclosed
EP-3929203-A1 DERIVATIVES OF AMPHOTERICIN B Sfunga Therapeutics, Inc. (US) 2021-12-29 EP disclosed
EP-0005142-A1 Phenylpiperazine derivatives, process for their preparation, intermediates for this purpose and medicaments containing such phenylpiperazine derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-11-14 EP disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4152518-A ANTIINFLAMMATORY AGENTS STERLING DRUG INC. (US) 1979-05-01 US disclosed
EP-0000220-A1 Dihydrouracils, process for their preparation and pharmaceuticals containing them HOECHST AKTIENGESELLSCHAFT (DE) 1979-01-10 EP disclosed
US-4112105-A Anti-inflammatory 3-(substituted-amino)-2,1-benzisothiazoles STERLING DRUG INC. (US) 1978-09-05 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-4060526-A 1-Heterocyclic alkyl-1,2,3,4-tetrahydroquinazolinones and analgesic intermediates thereof PENNWALT CORPORATION (US) 1977-11-29 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed
US-3948898-A HYPOTENSIVES, SEDATIVES, ANTIARRHYTHMICS, BRADYCARDIACS BOEHRINGER INGELHEIM GMBH (DT) 1976-04-06 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 (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-11236122-B2 Triterpene amine derivatives BET1, PGGT1B, NFATC1 CYP2D6 1253/4885KCNH2 4582/4885SIGMAR1 1936/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 CYP2D6 928/4885KCNH2 3845/4885SIGMAR1 1267/4885

“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.