SCHEMBL14815382

SCHEMBL14815382

O=S(=O)(N[C@H]1CC[C@H]2CCN(Cc3cccc(C(F)(F)F)c3)CN21)c1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ HTR7 P34969 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ DRD4 P21917 2/20 0.42
▸ PPARG P37231 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ CACNA1I Q9P0X4 1/20 0.42
▸ CACNA1B Q00975 1/20 0.42
▸ PARP1 P09874 1/20 0.41

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
SCHEMBL14815229 0.94 UBE2M (0.48) SIGMAR1KDM4EALDH1A1HTR1AHTR7
SCHEMBL14815277 0.94 UBE2M (0.48) SIGMAR1HTR1AHTR7CHRM3LMNA
SCHEMBL14815334 0.91 KCNH2 (0.43) SIGMAR1HTR1AHTR7LMNAKCNH2
SCHEMBL14815237 0.84 DRD2 (0.43) KDM4EALDH1A1GAAHTR1AHTR7
SCHEMBL14815148 0.80 DRD2 (0.48) KDM4EALDH1A1GAAHTR1AHTR7
SCHEMBL14815064 0.80 HRH1 (0.45) ALDH1A1GAACACNA1B
SCHEMBL14815248 0.77 CACNA1B (0.49) ALDH1A1CACNA1B
SCHEMBL14815482 0.76 HSD11B1 (0.51) ALDH1A1CACNA1B
SCHEMBL14815352 0.76 CA1 (0.45) HTR1AHTR7LMNA
SCHEMBL14833227 0.73 DRD2 (0.45) SIGMAR1KDM4EALDH1A1GAAHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — US claimed

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-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, CACNA1E, CACNA1D SIGMAR1 410/4885KDM4E 3058/4885ALDH1A1 1283/4885

“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.

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