SCHEMBL14815286

SCHEMBL14815286

FC(F)(F)c1ccnc(N[C@@H]2CC[C@H]3CCNCN32)n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 5/20 0.42
▸ ADRB1 P08588 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.37
▸ HTR2C P28335 3/20 0.37
▸ HTR2A P28223 2/20 0.37
▸ HTR2B P41595 2/20 0.37
▸ IDH1 O75874 4/20 0.36
▸ IDH2 P48735 2/20 0.36
▸ IKBKB O14920 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35

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
SCHEMBL14815443 0.80 HCRTR2 (0.40) IDH1IDH2HSD11B1
SCHEMBL14815290 0.77 HCRTR1 (0.42) SYKHDAC8HSD11B1
SCHEMBL2243533 0.76 MAPK1 (0.55) SYKADRB1HDAC8IDH1IDH2
Hydrochloric Acid SCHEMBL3775270 0.75 MAPK1 (0.53) SYKADRB1HDAC8IDH1IDH2
SCHEMBL14814765 0.74 HCRTR1 (0.41) SYKHTR2CHTR2AHTR2BIDH1
SCHEMBL12526259 0.74 IDH2 (0.50) SYKADRB1HDAC8IDH1IDH2
SCHEMBL14815488 0.73 SYK (0.35) SYKHTR2A
SCHEMBL14814682 0.73 HCRTR1 (0.40) MAPK1
SCHEMBL30775331 0.71 IDH1 (0.57) SYKHDAC8IDH1IDH2
Hydrochloric Acid SCHEMBL6152965 0.67 HRH4 (0.54) SYKADRB1IDH1IDH2

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 SYK 2155/4885ADRB1 116/4885HDAC8 2020/4885

“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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