SCHEMBL14815322

SCHEMBL14815322

O=C(c1ccc(Cl)cc1)N1CCN2C[C@@H](Nc3ccc(C(F)(F)F)cn3)C[C@H]2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.46
▸ CCNK O75909 3/20 0.46
▸ CDK12 Q9NYV4 3/20 0.46
▸ CYP2C9 P11712 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RHOC P08134 2/20 0.43
▸ RHOA P61586 2/20 0.43
▸ MAP3K12 Q12852 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ EPAS1 Q99814 1/20 0.43
▸ GRM5 P41594 2/20 0.42
▸ SCN9A Q15858 2/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ L3MBTL3 Q96JM7 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SYK P43405 1/20 0.41
▸ ABL1 P00519 1/20 0.41

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
SCHEMBL14815122 0.86 MGLL (0.48) MGLLCCNKCDK12KMT2ARHOC
SCHEMBL14815072 0.85 L3MBTL3 (0.55) MGLLMEN1KMT2ARHOCRHOA
SCHEMBL14814958 0.84 CCR6 (0.46) CCNKCDK12CYP2C9SCN9ACYP3A4
SCHEMBL14815464 0.83 MGLL (0.42) MGLLCCNKCDK12CYP2C9CYP1A2
SCHEMBL14814707 0.79 DPP4 (0.43) CCNKCDK12CYP2C9SCN9ACYP3A4
SCHEMBL14815158 0.79 DPP4 (0.45) CCNKCDK12CYP2C9HIF1AEPAS1
SCHEMBL14814665 0.78 EPHX2 (0.51) CCNKCDK12CYP2C9SCN9ACYP3A4
SCHEMBL14833487 0.78 EPHX2 (0.51) CCNKCDK12CYP2C9SCN9ACYP3A4
SCHEMBL14815112 0.78 MEN1 (0.53) MGLLMEN1KMT2ARHOCRHOA
SCHEMBL14833264 0.78 MEN1 (0.53) MGLLMEN1KMT2ARHOCRHOA

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 MGLL 4703/4885CCNK 2677/4885CDK12 1914/4885

“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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