SCHEMBL14814935

SCHEMBL14814935

O=C(Cc1ccc(C(F)(F)F)c(F)c1)N1CC[C@@H]2CC[C@H](Oc3cnc(C4CC4)cn3)N2C1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.34
▸ LIPE Q05469 5/20 0.34
▸ CYP11B1 P15538 3/20 0.33
▸ CYP11B2 P19099 3/20 0.33
▸ PANK3 Q9H999 2/20 0.33
▸ SYK P43405 1/20 0.33
▸ PRCP P42785 1/20 0.33
▸ EPHX2 P34913 2/20 0.33
▸ P2RX7 Q99572 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ CNR1 P21554 1/20 0.32

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
SCHEMBL14815272 0.89 CCR3 (0.40) NTRK1PANK3
SCHEMBL14815461 0.88 LIPE (0.41) LIPECNR1
SCHEMBL14815233 0.87 PKM (0.39) LIPEPANK3POLBCNR1
SCHEMBL14814936 0.85 LIPE (0.39) LIPESYKPRCPP2RX7POLB
SCHEMBL14815376 0.85 LIPE (0.38) LIPESYKPRCPCNR1
SCHEMBL14815136 0.84 LIPE (0.42) LIPEPRCPPOLB
SCHEMBL14815176 0.82 P2RX7 (0.39) LIPEPRCPP2RX7
SCHEMBL14815222 0.81 P2RX7 (0.39) P2RX7
SCHEMBL14814992 0.79 LIPE (0.37) NTRK1LIPECYP11B1CYP11B2PANK3
SCHEMBL14815149 0.78 GPR119 (0.32) —

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 NTRK1 4072/4885LIPE 4720/4885CYP11B1 1518/4885

“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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