SCHEMBL14815130

SCHEMBL14815130

FC(F)(F)c1ccnc(N[C@H]2C[C@H]3CN(c4ccc(Cl)cn4)CCN3C2)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ CCNC P24863 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ HRH4 Q9H3N8 3/20 0.35
▸ SYK P43405 1/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ IDH1 O75874 2/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ IKBKB O14920 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ IDH2 P48735 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ P2RX3 P56373 1/20 0.33

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
SCHEMBL14814812 0.85 DRD2 (0.42) DRD2DRD4HSD11B1CYP3A4L3MBTL1
SCHEMBL14815283 0.84 PHGDH (0.40) DRD2DRD4CCNCCDK8HSD11B1
SCHEMBL14815152 0.81 ADRB1 (0.40) KMT2A
SCHEMBL14814634 0.79 GRIN2B (0.37) DRD2DRD4IDH1DPP4IDH2
SCHEMBL14814985 0.76 HSD11B1 (0.45) CCNCCDK8HSD11B1SYKIDH1
SCHEMBL14833380 0.76 HSD11B1 (0.45) CCNCCDK8HSD11B1SYKIDH1
SCHEMBL14814959 0.74 ADRB1 (0.43) HSD11B1SYKIDH1HDAC8IKBKB
SCHEMBL14814680 0.74 DRD4 (0.44) DRD2DRD4CYP3A4L3MBTL1DPP4
SCHEMBL14815488 0.74 SYK (0.35) DRD2DRD4CCNCCDK8SYK
SCHEMBL14814937 0.73 HTR1A (0.43) CCNCCDK8HSD11B1SYKHDAC8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669255-B2 Substituted octahydropyrrolo[1,2-a]pyrazines as calcium channel blockers ABBVIE INC. (US) 2014-03-11 — — US disclosed
US-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — US disclosed

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 DRD2 307/4885DRD4 367/4885CCNC 1890/4885

“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