SCHEMBL14816000

SCHEMBL14816000

O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCN2C[C@@H](Nc3cccc(C(F)(F)F)n3)C[C@H]2C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 11/20 0.40
▸ HSD11B1 P28845 2/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CCR6 P51684 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33

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
SCHEMBL14815847 0.85 GPR6 (0.40) CNR1HSD11B1MEN1ALDH1A1KMT2A
SCHEMBL14815464 0.77 MGLL (0.42) HSD11B1CYP3A4CYP2D6CYP2C9
SCHEMBL14833328 0.76 CYP3A4 (0.45) HSD11B1CYP3A4CYP2D6CYP2C9
SCHEMBL14814596 0.76 CYP3A4 (0.45) HSD11B1CYP3A4CYP2D6CYP2C9
SCHEMBL14815138 0.75 PHGDH (0.43) HSD11B1CYP3A4CYP2D6CYP2C9
SCHEMBL14815310 0.75 CYP3A4 (0.42) HSD11B1CYP3A4CYP2D6CYP2C9
SCHEMBL14814812 0.75 DRD2 (0.42) HSD11B1CYP3A4CYP2D6CYP2C9
SCHEMBL14815192 0.72 CYP3A4 (0.38) HSD11B1CYP3A4CYP2D6CYP2C9
SCHEMBL14815018 0.72 CYP3A4 (0.41) HSD11B1CYP3A4CYP2D6CYP2C9
SCHEMBL14815009 0.71 CYP3A4 (0.41) HSD11B1CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648074-B2 Substituted octahydropyrrolo[1,2-a]pyrazine sulfonamides as calcium channel blockers ABBVIE INC. (US) 2014-02-11 — — US claimed
US-20130085141-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINE SULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — US claimed
US-8648074-B2 Substituted octahydropyrrolo[1,2-a]pyrazine sulfonamides as calcium channel blockers ABBVIE INC. (US) 2014-02-11 — — US disclosed
US-20130085141-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINE SULFONAMIDES 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-20130085141-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINE SULFONAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1C, CACNA1D, CACNA1A CNR1 279/4885HSD11B1 3627/4885CYP3A4 1710/4885

“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