SCHEMBL14815346

SCHEMBL14815346

CN[C@@H](C(=O)N1CC[C@@H]2CC[C@H](Oc3cnc(C4CC4)cn3)N2C1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ BIRC2 Q13490 11/20 0.33
▸ XIAP P98170 10/20 0.33
▸ BIRC3 Q13489 10/20 0.33
▸ BIRC8 Q96P09 2/20 0.33
▸ HMOX1 P09601 1/20 0.33
▸ GRIN2B Q13224 1/20 0.32
▸ GPR119 Q8TDV5 2/20 0.31
▸ NAMPT P43490 1/20 0.31
▸ CNR2 P34972 1/20 0.31

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
SCHEMBL14815291 0.89 LIPE (0.35) —
SCHEMBL14815220 0.89 LIPE (0.35) —
SCHEMBL14815255 0.88 KLRK1 (0.37) —
SCHEMBL14815239 0.88 KLRK1 (0.37) —
SCHEMBL14815188 0.82 CCR1 (0.33) CNR2
SCHEMBL14815398 0.81 TEAD1 (0.35) CNR2
SCHEMBL14815149 0.81 GPR119 (0.32) GPR119
SCHEMBL14815140 0.81 TEAD1 (0.36) —
SCHEMBL14814738 0.81 LIPE (0.35) CNR2
SCHEMBL14815287 0.81 KLRK1 (0.40) —

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 CHRM1 158/4885RAB9A 3469/4885BIRC2 1906/4885

“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