SCHEMBL14814936

SCHEMBL14814936

O=C(Cc1cccc(C(F)(F)F)c1F)N1CC[C@@H]2CC[C@H](Oc3cnc(C4CC4)cn3)N2C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 8/20 0.39
▸ PRCP P42785 1/20 0.38
▸ P2RX7 Q99572 2/20 0.36
▸ OXTR P30559 1/20 0.36
▸ HTR1D P28221 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ RBP4 P02753 2/20 0.35
▸ POLB P06746 1/20 0.33
▸ SYK P43405 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
SCHEMBL14815176 0.91 P2RX7 (0.39) LIPEPRCPP2RX7OXTR
SCHEMBL14815136 0.85 LIPE (0.42) LIPEPRCPOXTRPOLB
SCHEMBL14814935 0.85 NTRK1 (0.34) LIPEPRCPP2RX7POLBSYK
SCHEMBL14815461 0.83 LIPE (0.41) LIPE
SCHEMBL14815233 0.82 PKM (0.39) LIPEPOLB
SCHEMBL14815376 0.81 LIPE (0.38) LIPEPRCPSYK
SCHEMBL14814700 0.80 KDM4E (0.44) SYK
SCHEMBL14814942 0.80 LIPE (0.43) LIPEPRCPP2RX7HTR1DHTR1B
SCHEMBL14815222 0.79 P2RX7 (0.39) P2RX7RBP4
SCHEMBL14815474 0.78 ALDH1A1 (0.45) 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 LIPE 4720/4885PRCP 2370/4885P2RX7 234/4885

“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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