SCHEMBL14815122

SCHEMBL14815122

O=C(c1cccc(C(F)(F)F)c1)N1CCN2C[C@@H](Nc3ccc(Cl)cn3)C[C@H]2C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.48
▸ SYK P43405 6/20 0.46
▸ POLB P06746 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CCNK O75909 1/20 0.43
▸ CDK12 Q9NYV4 1/20 0.43
▸ ABL1 P00519 2/20 0.42
▸ BCR P11274 2/20 0.42
▸ RHOC P08134 1/20 0.42
▸ RHOA P61586 1/20 0.42
▸ PHGDH O43175 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 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
SCHEMBL14815322 0.86 MGLL (0.46) MGLLSYKKMT2ACCNKCDK12
SCHEMBL14815335 0.84 MGLL (0.54) MGLLPOLBHPGDLMNASMN1; SMN2
SCHEMBL14815253 0.82 MGLL (0.46) MGLLPOLBHPGDLMNAKDM4E
SCHEMBL14833284 0.82 MGLL (0.46) MGLLPOLBHPGDLMNAKDM4E
SCHEMBL14833283 0.82 MGLL (0.46) MGLLPOLBHPGDLMNAKDM4E
SCHEMBL14814801 0.82 MGLL (0.46) MGLLPOLBHPGDLMNAKDM4E
SCHEMBL14815112 0.82 MEN1 (0.53) MGLLPOLBHPGDLMNAKMT2A
SCHEMBL14833264 0.82 MEN1 (0.53) MGLLPOLBHPGDLMNAKMT2A
SCHEMBL14833365 0.80 MGLL (0.46) MGLLPOLBHPGDLMNAKMT2A
SCHEMBL14815102 0.80 MGLL (0.46) MGLLPOLBHPGDLMNAKMT2A

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 4703/4885SYK 2155/4885POLB 4535/4885

“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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