SCHEMBL14815072

SCHEMBL14815072

O=C(N[C@H]1C[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3)CCN2C1)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL3 Q96JM7 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ MGLL Q99685 4/20 0.51
▸ CHRNA7 P36544 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ RHOC P08134 3/20 0.45
▸ RHOA P61586 3/20 0.45
▸ LIPE Q05469 1/20 0.45
▸ TEAD1 P28347 1/20 0.44
▸ SLC6A5 Q9Y345 3/20 0.44
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ DRD2 P14416 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL14815270 0.91 L3MBTL3 (0.56) L3MBTL3L3MBTL1MGLLMEN1KMT2A
SCHEMBL14833250 0.91 L3MBTL3 (0.56) L3MBTL3L3MBTL1MGLLMEN1KMT2A
SCHEMBL14814591 0.90 L3MBTL3 (0.50) L3MBTL3L3MBTL1MGLLMEN1KMT2A
SCHEMBL14815112 0.90 MEN1 (0.53) L3MBTL3L3MBTL1MGLLMEN1KMT2A
SCHEMBL14815335 0.90 MGLL (0.54) L3MBTL3L3MBTL1MGLLMEN1KMT2A
SCHEMBL14833264 0.90 MEN1 (0.53) L3MBTL3L3MBTL1MGLLMEN1KMT2A
SCHEMBL14833257 0.90 L3MBTL3 (0.50) L3MBTL3L3MBTL1MGLLMEN1KMT2A
SCHEMBL14815322 0.85 MGLL (0.46) L3MBTL3L3MBTL1MGLLMEN1KMT2A
SCHEMBL14815622 0.82 TRPV4 (0.52) L3MBTL3L3MBTL1CHRNA7MEN1KMT2A
SCHEMBL14814550 0.81 KMT2A (0.50) L3MBTL3L3MBTL1MGLLMEN1KMT2A

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 L3MBTL3 2198/4885L3MBTL1 2030/4885MGLL 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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