SCHEMBL14815237

SCHEMBL14815237

CCC(CC)CN1CC[C@@H]2CC[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)N2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.43
▸ ADRA1D P25100 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ ADRA1B P35368 1/20 0.43
▸ HTR1A P08908 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ CACNA1B Q00975 2/20 0.40
▸ TSHR P16473 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP9 P14780 1/20 0.38

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 0.84 SIGMAR1 (0.46) HTR1AHTR7CACNA1BGAAKDM4E
SCHEMBL14815277 0.82 UBE2M (0.48) DRD2ADRA1DADRA1AADRA1BHTR1A
SCHEMBL14815148 0.82 DRD2 (0.48) DRD2ADRA1DADRA1AADRA1BHTR1A
SCHEMBL14815334 0.81 KCNH2 (0.43) DRD2ADRA1DADRA1AADRA1BHTR1A
SCHEMBL14815229 0.80 UBE2M (0.48) HTR1AHTR7CACNA1BKDM4EALDH1A1
SCHEMBL14815064 0.78 HRH1 (0.45) DRD2ADRA1DADRA1AADRA1BCACNA1B
SCHEMBL14815248 0.75 CACNA1B (0.49) CACNA1BALDH1A1HDAC8HPGD
SCHEMBL14815077 0.74 DRD2 (0.47) DRD2ADRA1DADRA1AADRA1BHTR1A
SCHEMBL14833215 0.74 DRD2 (0.47) DRD2ADRA1DADRA1AADRA1BHTR1A
SCHEMBL14815482 0.74 HSD11B1 (0.51) CACNA1BALDH1A1HDAC8HPGD

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 DRD2 307/4885ADRA1D 150/4885ADRA1A 180/4885

“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