SCHEMBL14815272

SCHEMBL14815272

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 4/20 0.40
▸ PANK3 Q9H999 5/20 0.38
▸ KMT2A Q03164 1/20 0.35
▸ NTRK1 P04629 2/20 0.34
▸ OPRK1 P41145 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ WDR5 P61964 1/20 0.33
▸ PROKR1 Q8TCW9 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
SCHEMBL14814935 0.89 NTRK1 (0.34) PANK3NTRK1
SCHEMBL14815233 0.88 PKM (0.39) CCR3PANK3KMT2A
SCHEMBL14815461 0.84 LIPE (0.41) —
SCHEMBL14815278 0.81 MGLL (0.38) GPR119
SCHEMBL14815376 0.81 LIPE (0.38) CCR3KMT2A
SCHEMBL14815136 0.81 LIPE (0.42) —
SCHEMBL14815176 0.79 P2RX7 (0.39) —
SCHEMBL14815474 0.79 ALDH1A1 (0.45) KMT2A
SCHEMBL14815029 0.79 PANK3 (0.39) CCR3PANK3NTRK1OPRK1KCNH2
SCHEMBL14814936 0.78 LIPE (0.39) —

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 CCR3 2474/4885PANK3 4165/4885KMT2A 2999/4885

“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.

Send feedback