SCHEMBL9119964

SCHEMBL9119964

COCCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC(C)C)C1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 4/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 4/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP2D6 P10635 1/20 0.45
NFKB1 P19838 1/20 0.45
THPO P40225 1/20 0.45
MAPT P10636 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
SCHEMBL23686109 0.90 HTT (0.49) HTTNPSR1HPGDSMN1; SMN2KDM4E
SCHEMBL9123042 0.90 HSP90AA1 (0.57) HTTNPSR1HPGDSMN1; SMN2HSP90AA1
SCHEMBL9213691 0.90 PYGM (0.50) HTTNPSR1HPGDSMN1; SMN2HSP90AA1
SCHEMBL9119166 0.89 TSHR (0.51) HTTNPSR1HPGDSMN1; SMN2HSP90AA1
SCHEMBL9222512 0.88 HTT (0.47) HTTNPSR1HPGDSMN1; SMN2KDM4E
SCHEMBL9217138 0.88 HTT (0.51) HTTNPSR1HPGDSMN1; SMN2KDM4E
SCHEMBL9121005 0.88 KDM4E (0.45) HTTHSP90AA1HSP90AB1KDM4EGAA
SCHEMBL23686215 0.88 HTT (0.53) HTTNPSR1HPGDSMN1; SMN2KDM4E
SCHEMBL21001936 0.87 LMNA (0.58) HPGDSMN1; SMN2KDM4EGAATSHR
SCHEMBL9122440 0.87 TSHR (0.60) HTTNPSR1HPGDSMN1; SMN2HSP90AA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0451654-B1 Use of N-alkylated 1,4-dihydropyridine carboxylic acid esters as drugs, new compounds and process for their preparation BAYER AG (DE) 1994-09-07 EP claimed
US-5234935-A Preventing myocardial infarct BAYER AKTIENGESELLSCHAFT (DE) 1993-08-10 US claimed
US-20210230117-A1 DIHYDROPYRIDINES FOR THE TREATMENT OF COGNITIVE IMPAIRMENT OR TRAUMATIC BRAIN INJURY THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2021-07-29 US disclosed
US-5432185-A Treating patients exhibiting acute or chronic ischaemic disorders associated with disorders of microcirculation, without lowering or increasing blood pressure BAYER AKTIENGESELLSCHAFT (DE) 1995-07-11 US disclosed
US-5234935-A Preventing myocardial infarct BAYER AKTIENGESELLSCHAFT (DE) 1993-08-10 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 (1 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-20210230117-A1 DIHYDROPYRIDINES FOR THE TREATMENT OF COGNITIVE IMPAIRMENT OR TRAUMATIC BRAIN INJURY GAP43, SYNJ1, PSD HTT 1468/4885NPSR1 1601/4885HPGD 1858/4885

“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.