SCHEMBL14815151

SCHEMBL14815151

O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 6/20 0.43
▸ MAPT P10636 3/20 0.41
▸ HTT P42858 3/20 0.41
▸ GAA P10253 3/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ SCN10A Q9Y5Y9 1/20 0.40
▸ PDE2A O00408 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ L3MBTL1 Q9Y468 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
SCHEMBL15794005 0.95 PDE2A (0.43) SCN9AMAPTGAAKCNH2SCN10A
SCHEMBL15793952 0.95 PDE2A (0.43) SCN9AMAPTGAAKCNH2SCN10A
SCHEMBL15794203 0.95 PDE2A (0.43) SCN9AMAPTGAAKCNH2SCN10A
SCHEMBL15793976 0.95 PDE2A (0.43) SCN9AMAPTGAAKCNH2SCN10A
SCHEMBL14814865 0.90 SCN9A (0.50) SCN9AKCNH2SCN10A
SCHEMBL14833210 0.90 ABL1 (0.42) SCN9ACYP2C9CYP2C19KCNH2KMT2A
SCHEMBL14833209 0.90 ABL1 (0.42) SCN9ACYP2C9CYP2C19KCNH2KMT2A
SCHEMBL14815262 0.90 ABL1 (0.42) SCN9ACYP2C9CYP2C19KCNH2KMT2A
SCHEMBL14815204 0.90 ABL1 (0.42) SCN9ACYP2C9CYP2C19KCNH2KMT2A
SCHEMBL15798576 0.88 SCN9A (0.40) SCN9AMAPTHTTGAACYP2C9

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 SCN9A 298/4885MAPT 2755/4885HTT 4008/4885

“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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