SCHEMBL14815277

SCHEMBL14815277

Cc1cccc(CN2CC[C@@H]3CC[C@H](NS(=O)(=O)c4cccc(C(F)(F)F)c4)N3C2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ UBE2M P61081 2/20 0.48
▸ DCUN1D1 Q96GG9 2/20 0.48
▸ CCR2 P41597 1/20 0.46
▸ HTR1A P08908 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ CACNA1B Q00975 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ ADRA1D P25100 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ ADRA1B P35368 1/20 0.40
▸ CHRM3 P20309 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM1 P11229 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
SCHEMBL14815382 0.94 SIGMAR1 (0.46) HTR1AHTR7CACNA1BSIGMAR1CHRM3
SCHEMBL14815229 0.90 UBE2M (0.48) UBE2MDCUN1D1CCR2HTR1AHTR7
SCHEMBL14815334 0.87 KCNH2 (0.43) UBE2MDCUN1D1CCR2HTR1AHTR7
SCHEMBL14815237 0.82 DRD2 (0.43) HTR1AHTR7CACNA1BDRD2ADRA1D
SCHEMBL14815148 0.79 DRD2 (0.48) HTR1AHTR7CACNA1BDRD2ADRA1D
SCHEMBL14815064 0.77 HRH1 (0.45) CACNA1BDRD2ADRA1DADRA1AADRA1B
SCHEMBL14815095 0.75 CCR2 (0.48) UBE2MDCUN1D1CCR2HTR1AHTR7
SCHEMBL14833369 0.75 CCR2 (0.48) UBE2MDCUN1D1CCR2HTR1AHTR7
SCHEMBL14815248 0.74 CACNA1B (0.49) UBE2MDCUN1D1CACNA1B
SCHEMBL14815482 0.73 HSD11B1 (0.51) UBE2MDCUN1D1CACNA1B

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 1024/4885CCR2 2651/4885

“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.

Send feedback