SCHEMBL14815156

SCHEMBL14815156

c1ccc(CN2CC[C@@H]3CC[C@H](Oc4cnc(C5CC5)cn4)N3C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPV6 Q9H1D0 6/20 0.41
▸ DRD2 P14416 10/20 0.39
▸ DRD4 P21917 10/20 0.39
▸ DRD3 P35462 10/20 0.39
▸ BCHE P06276 2/20 0.38
▸ ACHE P22303 2/20 0.38
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ SCN9A Q15858 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
SCHEMBL14815505 0.73 POLB (0.40) —
SCHEMBL14833871 0.73 TRPV6 (0.43) TRPV6DRD2DRD4DRD3KCNH2
SCHEMBL14815076 0.73 TRPV6 (0.43) TRPV6DRD2DRD4DRD3KCNH2
SCHEMBL14815238 0.73 MAPT (0.47) ACHEKCNH2
SCHEMBL14815233 0.72 PKM (0.39) —
SCHEMBL14815246 0.72 — —
SCHEMBL14815342 0.71 KDM4E (0.38) TRPV6
SCHEMBL14815272 0.70 CCR3 (0.40) KCNH2
SCHEMBL14815252 0.69 KMT2A (0.39) TRPV6KCNH2
SCHEMBL14815474 0.69 ALDH1A1 (0.45) ACHE

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 TRPV6 102/4885DRD2 307/4885DRD4 367/4885

“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