SCHEMBL14814948

SCHEMBL14814948

O=C1CN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2CN1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.41
▸ POLB P06746 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KCNN4 O15554 4/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KCNH2 Q12809 2/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ CCR2 P41597 1/20 0.34

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
SCHEMBL14815117 0.87 KMT2A (0.39) KMT2APOLBMEN1KCNN4KCNH2
SCHEMBL14815147 0.87 KMT2A (0.39) KMT2APOLBMEN1KCNN4KCNH2
SCHEMBL15794124 0.85 KMT2A (0.40) KMT2APOLBMEN1KCNN4KCNH2
SCHEMBL15799689 0.85 KMT2A (0.40) KMT2APOLBMEN1KCNN4KCNH2
SCHEMBL15793870 0.85 KMT2A (0.40) KMT2APOLBMEN1KCNN4KCNH2
SCHEMBL15794255 0.85 KMT2A (0.40) KMT2APOLBMEN1KCNN4KCNH2
SCHEMBL15793990 0.85 KMT2A (0.40) KMT2APOLBMEN1KCNN4KCNH2
SCHEMBL15794306 0.81 TACR1 (0.41) KMT2APOLBMEN1DRD3
SCHEMBL15793668 0.81 TACR1 (0.41) KMT2APOLBMEN1DRD3
SCHEMBL15799565 0.81 TACR1 (0.41) KMT2APOLBMEN1DRD3

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
WO-2013049164-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — WO claimed
US-8669255-B2 Substituted octahydropyrrolo[1,2-a]pyrazines as calcium channel blockers ABBVIE INC. (US) 2014-03-11 — — US disclosed
WO-2013049164-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — WO 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 KMT2A 2999/4885POLB 4535/4885MEN1 1008/4885

“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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