SCHEMBL14815112

SCHEMBL14815112

O=C(N[C@H]1C[C@H]2CN(C(=O)c3ccc(Cl)cc3)CCN2C1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ MGLL Q99685 1/20 0.52
▸ CCR2 P41597 12/20 0.51
▸ L3MBTL3 Q96JM7 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ EIF4A3 P38919 1/20 0.46
▸ RHOC P08134 1/20 0.46
▸ RHOA P61586 1/20 0.46
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 1/20 0.43

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
SCHEMBL14833264 1.00 MEN1 (0.53) MEN1KMT2AMGLLCCR2L3MBTL3
SCHEMBL14815335 0.96 MGLL (0.54) MEN1KMT2AMGLLCCR2L3MBTL3
SCHEMBL14815069 0.92 CCR2 (0.54) MEN1KMT2ACCR2L3MBTL3L3MBTL1
SCHEMBL14833216 0.92 CCR2 (0.54) MEN1KMT2ACCR2L3MBTL3L3MBTL1
SCHEMBL14814550 0.91 KMT2A (0.50) MEN1KMT2AMGLLCCR2L3MBTL3
SCHEMBL14830396 0.91 KMT2A (0.50) MEN1KMT2AMGLLCCR2L3MBTL3
SCHEMBL14815072 0.90 L3MBTL3 (0.55) MEN1KMT2AMGLLL3MBTL3L3MBTL1
SCHEMBL14815167 0.89 KMT2A (0.50) MEN1KMT2AMGLLCCR2L3MBTL3
SCHEMBL14833493 0.89 KMT2A (0.50) MEN1KMT2AMGLLCCR2L3MBTL3
SCHEMBL14833315 0.89 MEN1 (0.49) MEN1KMT2AMGLLCCR2

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 2999/4885MGLL 4703/4885

“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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