SCHEMBL14815367

SCHEMBL14815367

O=C(O)N1CCN2C[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)C[C@H]2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.46
▸ ADRA1D P25100 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ ADRA1B P35368 1/20 0.46
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ MCOLN2 Q8IZK6 1/20 0.43
▸ MCOLN3 Q8TDD5 1/20 0.43
▸ MCOLN1 Q9GZU1 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ MEN1 O00255 1/20 0.42

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
SCHEMBL14833432 0.89 ALDH1A1 (0.49) DRD2ADRA1DADRA1AADRA1BHDAC8
SCHEMBL14815172 0.89 ALDH1A1 (0.49) DRD2ADRA1DADRA1AADRA1BHDAC8
SCHEMBL14814588 0.87 ALDH1A1 (0.47) DRD2ADRA1DADRA1AADRA1BHDAC8
SCHEMBL14833243 0.87 ALDH1A1 (0.47) DRD2ADRA1DADRA1AADRA1BHDAC8
SCHEMBL14833253 0.82 DRD2 (0.52) DRD2ADRA1DADRA1AADRA1BCA1
SCHEMBL14814590 0.82 DRD2 (0.52) DRD2ADRA1DADRA1AADRA1BCA1
SCHEMBL14833227 0.80 DRD2 (0.45) DRD2ADRA1DADRA1AADRA1BLMNA
SCHEMBL14815157 0.80 DRD2 (0.45) DRD2ADRA1DADRA1AADRA1BLMNA
SCHEMBL14814875 0.80 DRD2 (0.45) DRD2ADRA1DADRA1AADRA1BCA1
SCHEMBL14833215 0.78 DRD2 (0.47) DRD2ADRA1DADRA1AADRA1BCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669255-B2 Substituted octahydropyrrolo[1,2-a]pyrazines as calcium channel blockers ABBVIE INC. (US) 2014-03-11 — — US claimed
US-8669255-B2 Substituted octahydropyrrolo[1,2-a]pyrazines as calcium channel blockers ABBVIE INC. (US) 2014-03-11 — — US disclosed
US-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — 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-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.

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