SCHEMBL14815378

SCHEMBL14815378

O=C(c1cc(C(F)(F)F)ccc1Cl)N1CC[C@@H]2CC[C@H](Oc3cnc(C4CC4)cn3)N2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.42
▸ MGLL Q99685 2/20 0.41
▸ ALOX5AP P20292 2/20 0.37
▸ FEN1 P39748 2/20 0.37
▸ NR1I2 O75469 1/20 0.36
▸ CACNA1B Q00975 1/20 0.36
▸ LIPG Q9Y5X9 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LIPE Q05469 1/20 0.34
▸ CRHR1 P34998 2/20 0.34
▸ LPL P06858 1/20 0.34
▸ SCN9A Q15858 6/20 0.33
▸ SCN7A Q01118 2/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ SCN5A Q14524 2/20 0.33
▸ SCN10A Q9Y5Y9 2/20 0.33
▸ SYK P43405 1/20 0.33
▸ SCN8A Q9UQD0 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
SCHEMBL14815458 0.86 GAA (0.41) KMT2AMGLLHTTSMN1; SMN2KCNH2
SCHEMBL14815225 0.85 RBP4 (0.44) MGLLCACNA1BKCNH2SYK
SCHEMBL14815371 0.85 RBP4 (0.44) MGLLCACNA1BKCNH2SYK
SCHEMBL14815278 0.83 MGLL (0.38) MGLLSMN1; SMN2
SCHEMBL14815202 0.82 JAK2 (0.36) SMN1; SMN2LIPE
SCHEMBL14815461 0.81 LIPE (0.41) LIPEPIK3CAPRKAA2
SCHEMBL14815136 0.81 LIPE (0.42) MGLLALOX5APFEN1ALDH1A1LIPE
SCHEMBL14815210 0.80 LIPE (0.41) LIPESCN9ASCN7AKCNH2SCN5A
SCHEMBL14815419 0.80 CCR2 (0.37) CACNA1BLIPEKCNH2
SCHEMBL14814930 0.80 JAK2 (0.39) MGLLSCN9ASCN10A

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 KMT2A 2999/4885MGLL 4703/4885ALOX5AP 620/4885

“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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