SCHEMBL14815252

SCHEMBL14815252

O=C1C[C@@H]2CC[C@H](Oc3cnc(C4CC4)cn3)N2CN1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ KCNN4 O15554 5/20 0.38
▸ POLB P06746 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ TRPV6 Q9H1D0 1/20 0.36
▸ HSD11B1 P28845 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ CCR2 P41597 3/20 0.35
▸ KCNH2 Q12809 3/20 0.35

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
SCHEMBL14815418 0.83 DRD2 (0.40) KMT2AKCNN4POLBTRPV6HSD11B1
SCHEMBL14815366 0.83 DRD2 (0.40) KMT2AKCNN4POLBTRPV6HSD11B1
SCHEMBL14814948 0.78 KMT2A (0.41) KMT2AKCNN4POLBMEN1CCR2
SCHEMBL14815147 0.77 KMT2A (0.39) KMT2AKCNN4POLBMEN1HCRTR1
SCHEMBL14815117 0.77 KMT2A (0.39) KMT2AKCNN4POLBMEN1HCRTR1
SCHEMBL15794124 0.76 KMT2A (0.40) KMT2AKCNN4POLBMEN1HSD11B1
SCHEMBL15794255 0.76 KMT2A (0.40) KMT2AKCNN4POLBMEN1HSD11B1
SCHEMBL15793870 0.76 KMT2A (0.40) KMT2AKCNN4POLBMEN1HSD11B1
SCHEMBL15793990 0.76 KMT2A (0.40) KMT2AKCNN4POLBMEN1HSD11B1
SCHEMBL15799689 0.76 KMT2A (0.40) KMT2AKCNN4POLBMEN1HSD11B1

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 2999/4885KCNN4 13/4885POLB 4535/4885

“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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