SCHEMBL14815442

SCHEMBL14815442

O=C(c1cccc(C(F)(F)F)c1)N1CC[C@@H]2CC[C@@H](Nc3ccc(Cl)cn3)N2C1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.52
▸ SYK P43405 4/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ POLB P06746 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ HSD11B1 P28845 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ RBP4 P02753 1/20 0.43
▸ RHOC P08134 1/20 0.43
▸ RHOA P61586 1/20 0.43
▸ ABL1 P00519 2/20 0.42
▸ BCR P11274 2/20 0.42
▸ CACNA1B Q00975 1/20 0.41
▸ PHGDH O43175 1/20 0.41
▸ GPR52 Q9Y2T5 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
SCHEMBL14815455 0.85 MGLL (0.49) MGLLSYKRHOCRHOAABL1
SCHEMBL14815325 0.83 MGLL (0.59) MGLLSMN1; SMN2POLBHPGDHSD11B1
SCHEMBL14815517 0.82 MGLL (0.51) MGLLSMN1; SMN2POLBHPGDKDM4E
SCHEMBL14814764 0.82 MGLL (0.51) MGLLSMN1; SMN2POLBHPGDKDM4E
SCHEMBL14815284 0.81 MGLL (0.56) MGLLSMN1; SMN2HSD11B1RHOCRHOA
SCHEMBL14814826 0.76 HSD11B1 (0.58) MGLLSMN1; SMN2POLBHPGDHSD11B1
SCHEMBL14815306 0.76 EPHX2 (0.43) SMN1; SMN2HSD11B1LMNA
SCHEMBL14815122 0.76 MGLL (0.48) MGLLSYKSMN1; SMN2POLBHPGD
SCHEMBL14815309 0.76 MEN1 (0.47) HSD17B10HSD11B1RBP4
SCHEMBL14815472 0.75 HRH3 (0.38) PHGDH

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 4703/4885SYK 2155/4885SMN1; SMN2 3245/4885

“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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