SCHEMBL14814700

SCHEMBL14814700

O=C(COc1cccc(C(F)(F)F)c1)N1CC[C@@H]2CC[C@H](Oc3cnc(C4CC4)cn3)N2C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ ENPP2 Q13822 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ IDE P14735 1/20 0.39
▸ MCHR1 Q99705 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ SYK P43405 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL14815238 0.88 MAPT (0.47) KDM4EMAPTENPP2SMN1; SMN2MCHR1
SCHEMBL14815261 0.86 LIPE (0.34) LMNAMCHR1
SCHEMBL14815314 0.86 CACNA1B (0.36) MAPTMCHR1
SCHEMBL14815371 0.85 RBP4 (0.44) LMNASYK
SCHEMBL14815225 0.85 RBP4 (0.44) LMNASYK
SCHEMBL14815341 0.85 HRH3 (0.43) KDM4EALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL14815474 0.84 ALDH1A1 (0.45) KDM4EALDH1A1GAAMAPTENPP2
SCHEMBL14815419 0.83 CCR2 (0.37) MCHR1PKM
SCHEMBL14815461 0.83 LIPE (0.41) HRH3
SCHEMBL14814741 0.82 LIPE (0.39) —

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 KDM4E 3058/4885ALDH1A1 1283/4885GAA 4641/4885

“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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