SCHEMBL14815419

SCHEMBL14815419

CC(O)(C(=O)N1CC[C@@H]2CC[C@H](Oc3cnc(C4CC4)cn3)N2C1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 7/20 0.37
▸ KCNH2 Q12809 6/20 0.37
▸ LIPE Q05469 4/20 0.34
▸ MCHR1 Q99705 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ MAPK7 Q13164 1/20 0.33
▸ MAP3K7 O43318 1/20 0.32
▸ TAB1 Q15750 1/20 0.32
▸ EGFR P00533 1/20 0.32

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
SCHEMBL14815314 0.88 CACNA1B (0.36) CCR2KCNH2LIPEMCHR1CACNA1B
SCHEMBL14815225 0.86 RBP4 (0.44) CCR2KCNH2CACNA1B
SCHEMBL14815371 0.86 RBP4 (0.44) CCR2KCNH2CACNA1B
SCHEMBL14815444 0.84 LIPE (0.42) CCR2KCNH2LIPE
SCHEMBL14815261 0.83 LIPE (0.34) CCR2KCNH2LIPEMCHR1
SCHEMBL14814741 0.83 LIPE (0.39) CCR2KCNH2LIPE
SCHEMBL14814700 0.83 KDM4E (0.44) MCHR1PKM
SCHEMBL14814839 0.83 RET (0.33) LIPEMAPK7
SCHEMBL14815265 0.83 CCR2 (0.34) CCR2KCNH2LIPE
SCHEMBL14814823 0.82 LIPE (0.34) CCR2KCNH2LIPE

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 CCR2 2651/4885KCNH2 16/4885LIPE 4720/4885

“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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