SCHEMBL14815366

SCHEMBL14815366

O=C1N(Cc2cccc(C(F)(F)F)c2)CC[C@H]2CC[C@@H](Oc3cnc(C4CC4)cn3)N12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ KCNN4 O15554 3/20 0.37
▸ POLB P06746 2/20 0.37
▸ CHRM3 P20309 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ TRPV6 Q9H1D0 1/20 0.36
▸ 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
SCHEMBL14815418 1.00 DRD2 (0.40) DRD2DRD3KCNH2KMT2AKDM4E
SCHEMBL14815165 0.90 PIK3CA (0.37) KDM4EALDH1A1HCRTR2
SCHEMBL14815494 0.90 PIK3CA (0.37) KDM4EALDH1A1HCRTR2
SCHEMBL14815252 0.83 KMT2A (0.39) KCNH2KMT2AHCRTR1HCRTR2KCNN4
SCHEMBL14815375 0.76 KDM4E (0.38) KMT2AKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL14815185 0.76 KDM4E (0.38) KMT2AKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL14815147 0.75 KMT2A (0.39) DRD2DRD3KCNH2KMT2AHCRTR1
SCHEMBL14815117 0.75 KMT2A (0.39) DRD2DRD3KCNH2KMT2AHCRTR1
SCHEMBL14814948 0.75 KMT2A (0.41) DRD2DRD3KCNH2KMT2AKCNN4
SCHEMBL14815383 0.75 TNF (0.34) DRD2KCNH2HCRTR1HCRTR2DRD4

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 DRD2 307/4885DRD3 316/4885KCNH2 16/4885

“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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