SCHEMBL14815290

SCHEMBL14815290

O=C(O)N1CC[C@@H]2CC[C@@H](Nc3nccc(C(F)(F)F)n3)N2C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 3/20 0.42
▸ HCRTR2 O43614 2/20 0.42
▸ HSD11B1 P28845 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.40
▸ SYK P43405 9/20 0.40
▸ SLC6A7 Q99884 1/20 0.39
▸ TAS2R14 Q9NYV8 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ PKM P14618 1/20 0.37
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 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
SCHEMBL14815323 0.82 HCRTR2 (0.43) HCRTR1HCRTR2HSD11B1SYKTAS2R14
SCHEMBL14815483 0.82 HTR1A (0.42) HCRTR1HCRTR2HDAC8SYKSLC6A7
SCHEMBL14814765 0.78 HCRTR1 (0.41) HCRTR1HCRTR2SYKPKM
SCHEMBL14815286 0.77 SYK (0.42) HSD11B1HDAC8SYK
SCHEMBL14815306 0.77 EPHX2 (0.43) HCRTR1HCRTR2HSD11B1
SCHEMBL14815488 0.75 SYK (0.35) HCRTR1HCRTR2SYK
SCHEMBL14833380 0.72 HSD11B1 (0.45) HCRTR1HCRTR2HSD11B1HDAC8SYK
SCHEMBL14814985 0.72 HSD11B1 (0.45) HCRTR1HCRTR2HSD11B1HDAC8SYK
SCHEMBL14815100 0.71 HCRTR2 (0.41) HCRTR1HCRTR2HSD11B1TAS2R14
SCHEMBL14814728 0.69 HCRTR2 (0.39) HCRTR1HCRTR2

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 HCRTR1 654/4885HCRTR2 434/4885HSD11B1 2566/4885

“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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