SCHEMBL14815455

SCHEMBL14815455

O=C(c1ccc(Cl)cc1)N1CC[C@@H]2CC[C@@H](Nc3ccc(C(F)(F)F)cn3)N2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.49
▸ RHOC P08134 3/20 0.45
▸ RHOA P61586 3/20 0.45
▸ GRM5 P41594 1/20 0.43
▸ HCRTR1 O43613 6/20 0.42
▸ HCRTR2 O43614 4/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HIF1A Q16665 1/20 0.41
▸ EPAS1 Q99814 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CCNK O75909 1/20 0.41
▸ CDK12 Q9NYV4 1/20 0.41
▸ PTGS1 P23219 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ SYK P43405 1/20 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
SCHEMBL14815442 0.85 MGLL (0.52) MGLLRHOCRHOASYKABL1
SCHEMBL14815306 0.85 EPHX2 (0.43) HCRTR1HCRTR2CYP2C9
SCHEMBL14815178 0.83 MGLL (0.56) MGLLRHOCRHOAMEN1KMT2A
SCHEMBL14815468 0.80 EPHX2 (0.46) HCRTR1HCRTR2CYP2C9
SCHEMBL14815174 0.80 EPHX2 (0.44) HCRTR1HCRTR2
SCHEMBL14815171 0.79 EPHX2 (0.52) HCRTR1HCRTR2GAA
SCHEMBL14815549 0.79 EPHX2 (0.41) HCRTR1HCRTR2CYP2C9
SCHEMBL14815325 0.77 MGLL (0.59) MGLLRHOCRHOAMEN1KMT2A
SCHEMBL14815284 0.77 MGLL (0.56) MGLLRHOCRHOAMEN1KMT2A
SCHEMBL14815322 0.75 MGLL (0.46) MGLLRHOCRHOAGRM5HCRTR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — US claimed

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 4703/4885RHOC 2298/4885RHOA 3851/4885

“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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