SCHEMBL14815229

SCHEMBL14815229

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UBE2M P61081 3/20 0.48
▸ DCUN1D1 Q96GG9 3/20 0.48
▸ PPARG P37231 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ CACNA1I Q9P0X4 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ HTR1A P08908 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ SIGMAR1 Q99720 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 2/20 0.40
▸ CCR1 P32246 1/20 0.40
▸ CCR2 P41597 1/20 0.40
▸ CCR4 P51679 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CACNA1B Q00975 1/20 0.39

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
SCHEMBL14815334 0.94 KCNH2 (0.43) UBE2MDCUN1D1KCNH2CACNA1ILMNA
SCHEMBL14815382 0.94 SIGMAR1 (0.46) PPARGKCNH2CACNA1ILMNAHTR1A
SCHEMBL14815277 0.90 UBE2M (0.48) UBE2MDCUN1D1LMNAHTR1AHTR7
SCHEMBL14815237 0.80 DRD2 (0.43) HTR1AHTR7KDM4EALDH1A1MAPT
SCHEMBL14815148 0.77 DRD2 (0.48) HTR1AHTR7KDM4EALDH1A1MEN1
SCHEMBL14815064 0.77 HRH1 (0.45) ALDH1A1MEN1KMT2ANPSR1CACNA1B
SCHEMBL14833401 0.75 UBE2M (0.46) UBE2MDCUN1D1PPARGLMNAHTR1A
SCHEMBL14815089 0.75 UBE2M (0.46) UBE2MDCUN1D1PPARGLMNAHTR1A
SCHEMBL14815352 0.74 CA1 (0.45) LMNAHTR1AHTR7MEN1KMT2A
SCHEMBL14815248 0.74 CACNA1B (0.49) UBE2MDCUN1D1ALDH1A1HTTCACNA1B

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 UBE2M 4772/4885DCUN1D1 1024/4885PPARG 3460/4885

“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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