SCHEMBL14815517

SCHEMBL14815517

O=C(c1cccc(C(F)(F)F)c1)N1CC[C@@H]2CC[C@H](Oc3ccc(Cl)cn3)N2C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.51
▸ HSD11B1 P28845 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ RBP4 P02753 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ FAAH O00519 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ LIPE Q05469 1/20 0.41
▸ CACNA1B Q00975 3/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ ABL1 P00519 1/20 0.39
▸ BCR P11274 1/20 0.39

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
SCHEMBL14814764 1.00 MGLL (0.51) MGLLHSD11B1HPGDRBP4LMNA
SCHEMBL14815371 0.85 RBP4 (0.44) MGLLHSD11B1HPGDRBP4LMNA
SCHEMBL14815225 0.85 RBP4 (0.44) MGLLHSD11B1HPGDRBP4LMNA
SCHEMBL14815442 0.82 MGLL (0.52) MGLLHSD11B1HPGDRBP4LMNA
SCHEMBL14814848 0.79 HCRTR1 (0.38) FAAHALDH1A1LIPE
SCHEMBL14833284 0.76 MGLL (0.46) MGLLHPGDLMNAPOLBSMN1; SMN2
SCHEMBL14815253 0.76 MGLL (0.46) MGLLHPGDLMNAPOLBSMN1; SMN2
SCHEMBL14814801 0.76 MGLL (0.46) MGLLHPGDLMNAPOLBSMN1; SMN2
SCHEMBL14815181 0.76 MGLL (0.48) MGLLHSD11B1HPGDRBP4LMNA
SCHEMBL14833283 0.76 MGLL (0.46) MGLLHPGDLMNAPOLBSMN1; SMN2

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 4703/4885HSD11B1 2566/4885HPGD 2799/4885

“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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