SCHEMBL964997

SCHEMBL964997

CC(C)CC(CN)CC(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.56
CACNB3 P54284 1/20 0.56
CACNA1C Q13936 1/20 0.56
PGR P06401 1/20 0.56
ADRA1A P35348 1/20 0.56
HTR2B P41595 1/20 0.56
CACNA2D2 Q9NY47 1/20 0.56
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
ANPEP P15144 5/20 0.36
ERAP1 Q9NZ08 2/20 0.36
ERAP2 Q6P179 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL2633043 0.84
SCHEMBL24880069 0.84
SCHEMBL268013 0.84
SCHEMBL21022226 0.82
SCHEMBL24509151 0.82
SCHEMBL662116 0.82
SCHEMBL23746779 0.80 CACNA2D1 (0.42) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL24218208 0.80 CACNA2D1 (0.46) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL22779212 0.80 CACNA2D1 (0.46) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL11726366 0.80 CACNA2D1 (0.46) CACNA2D1CACNB3CACNA1CPGRADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108623577-B Preparation method of amonebvir and intermediate thereof 山东百诺医药股份有限公司 2020-09-25 CN claimed
WO-2005058861-A1 PROCESS FOR PREPARING SIMVASTATIN. UK CHEMIPHARM CO., LTD. (KR) 2005-06-30 WO claimed
EP-1484334-A2 Process for producing phosphite SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-08 EP claimed
US-20040225145-A1 Process for producing phosphite SUMITOMO CHEMICAL COMPANY, LIMITED 2004-11-11 US claimed
EP-0138669-B1 PROCESS FOR THE PREPARATION OF SILANES FROM METHYLDICHLOROSILANE AND CHLOROSILANES RHONE-POULENC CHIMIE (FR) 1988-08-10 EP claimed
EP-0138670-B1 PROCESS FOR THE PREPARATION OF SILANES WITH A SI-H BOND BY REDISTRIBUTION RHONE-POULENC CHIMIE (FR) 1988-05-25 EP claimed
US-4746752-A QUATERNARY OR TERTIARY AMINE CATALYST RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1988-05-24 US claimed
US-4605543-A DISTRIBUTION AND DISPROPORTIONATION CATALYSIS RHONE-POULENC SPECIALITIES CHIMIQUES (FR) 1986-08-12 US claimed
EP-0138670-A2 Process for the preparation of silanes with a Si-H bond by redistribution RHONE-POULENC CHIMIE (FR) 1985-04-24 EP claimed
EP-0138669-A2 Process for the preparation of silanes from methyldichlorosilane and chlorosilanes RHONE-POULENC CHIMIE (FR) 1985-04-24 EP claimed
US-12545685-B2 Dispiropyrrolidine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2026-02-10 US disclosed
US-20240246989-A1 DISPIROPYRROLIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2024-07-25 US disclosed
CN-111892592-B JAK kinase inhibitors and uses thereof 江苏柯菲平医药股份有限公司 2023-09-19 CN disclosed
US-20230203070-A1 PSILOCIN DERIVATIVES AS SEROTONERGIC PSYCHEDELIC AGENTS FOR THE TREATMENT OF CNS DISORDERS MINDSET PHARMA INC. (CA) 2023-06-29 US disclosed
US-20230203070-A1 PSILOCIN DERIVATIVES AS SEROTONERGIC PSYCHEDELIC AGENTS FOR THE TREATMENT OF CNS DISORDERS MINDSET PHARMA INC. (CA) 2023-06-29 US disclosed
US-4605543-A DISTRIBUTION AND DISPROPORTIONATION CATALYSIS RHONE-POULENC SPECIALITIES CHIMIQUES (FR) 1986-08-12 US disclosed
EP-0138670-A2 Process for the preparation of silanes with a Si-H bond by redistribution RHONE-POULENC CHIMIE (FR) 1985-04-24 EP disclosed
EP-0138669-A2 Process for the preparation of silanes from methyldichlorosilane and chlorosilanes RHONE-POULENC CHIMIE (FR) 1985-04-24 EP disclosed
US-4427586-A ANTI-BACTERIAL AGENTS AND ENZYME INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-01-24 US disclosed
EP-0052299-A1 2-Oxoazetidine derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1982-05-26 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 (4 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-12545685-B2 Dispiropyrrolidine derivatives TP53, MDM2, TP53BP1 CACNA2D1 2138/4885CACNB3 2827/4885CACNA1C 3429/4885
US-20230203070-A1 PSILOCIN DERIVATIVES AS SEROTONERGIC PSYCHEDELIC AGENTS FOR THE TREATMENT OF CNS DISORDERS HTR1A, HTR6, HTR1B CACNA2D1 2354/4885CACNB3 2108/4885CACNA1C 1596/4885
US-20040225145-A1 Process for producing phosphite PHOSPHO1, PLCG1, PLCG2 CACNA2D1 1990/4885CACNB3 4269/4885CACNA1C 3930/4885
US-20240246989-A1 DISPIROPYRROLIDINE DERIVATIVES MDM2, TP53, TP53BP1 CACNA2D1 2915/4885CACNB3 4282/4885CACNA1C 4135/4885

“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.