SCHEMBL14815474

SCHEMBL14815474

O=C(COc1ccc(F)cc1)N1CC[C@@H]2CC[C@H](Oc3cnc(C4CC4)cn3)N2C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ FKBP1A P62942 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.38
▸ ORAI1 Q96D31 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CPT1A P50416 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ ACHE P22303 5/20 0.37
▸ USP2 O75604 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ENPP2 Q13822 1/20 0.36

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
SCHEMBL14815341 0.91 HRH3 (0.43) ALDH1A1MAPTGAARAB9ASMN1; SMN2
SCHEMBL14815233 0.88 PKM (0.39) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL14815238 0.84 MAPT (0.47) MAPTRAB9ASMN1; SMN2KMT2AFKBP1A
SCHEMBL14814700 0.84 KDM4E (0.44) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL14815149 0.81 GPR119 (0.32) —
SCHEMBL14815461 0.79 LIPE (0.41) HRH3
SCHEMBL14815272 0.79 CCR3 (0.40) KMT2A
SCHEMBL14815376 0.78 LIPE (0.38) KMT2AMEN1
SCHEMBL14814936 0.78 LIPE (0.39) POLB
SCHEMBL14814935 0.77 NTRK1 (0.34) POLB

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 ALDH1A1 1283/4885MAPT 2755/4885GAA 4641/4885

“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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