SCHEMBL14814662

SCHEMBL14814662

O=C(N[C@H]1C[C@H]2CN(C(=O)c3ccc(F)cc3Cl)CCN2C1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CCR2 P41597 11/20 0.46
▸ KCNH2 Q12809 2/20 0.43
▸ DRD4 P21917 1/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ MAP3K12 Q12852 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD11B1 P28845 2/20 0.40

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
SCHEMBL14833517 1.00 MEN1 (0.49) MEN1KMT2ACCR2KCNH2DRD4
SCHEMBL14833315 0.88 MEN1 (0.49) MEN1KMT2ACCR2KCNH2DRD4
SCHEMBL14815236 0.88 MEN1 (0.49) MEN1KMT2ACCR2KCNH2DRD4
SCHEMBL14815069 0.88 CCR2 (0.54) MEN1KMT2ACCR2KCNH2HPGD
SCHEMBL14833216 0.88 CCR2 (0.54) MEN1KMT2ACCR2KCNH2HPGD
SCHEMBL14815282 0.86 HSD11B1 (0.53) MEN1KMT2ACCR2KCNH2HPGD
SCHEMBL14833207 0.86 HSD11B1 (0.53) MEN1KMT2ACCR2KCNH2HPGD
SCHEMBL14814550 0.85 KMT2A (0.50) MEN1KMT2ACCR2HPGDHSD11B1
SCHEMBL14830396 0.85 KMT2A (0.50) MEN1KMT2ACCR2HPGDHSD11B1
SCHEMBL14815167 0.85 KMT2A (0.50) MEN1KMT2ACCR2HPGDHSD11B1

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 MEN1 1008/4885KMT2A 2999/4885CCR2 2651/4885

“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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