SCHEMBL14815314

SCHEMBL14815314

CC(C)(Oc1cccc(C(F)(F)F)c1)C(=O)N1CC[C@@H]2CC[C@H](Oc3cnc(C4CC4)cn3)N2C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 2/20 0.36
▸ MCHR1 Q99705 1/20 0.34
▸ CCR2 P41597 5/20 0.34
▸ KCNH2 Q12809 4/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ LIPE Q05469 2/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 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
SCHEMBL14815419 0.88 CCR2 (0.37) CACNA1BMCHR1CCR2KCNH2LIPE
SCHEMBL14815261 0.86 LIPE (0.34) MCHR1CCR2KCNH2EPHX2LIPE
SCHEMBL14814700 0.86 KDM4E (0.44) MCHR1MAPT
SCHEMBL14815225 0.84 RBP4 (0.44) CACNA1BCCR2KCNH2HSD11B1POLB
SCHEMBL14815371 0.84 RBP4 (0.44) CACNA1BCCR2KCNH2HSD11B1POLB
SCHEMBL14814741 0.81 LIPE (0.39) CCR2KCNH2LIPE
SCHEMBL14815444 0.81 LIPE (0.42) CCR2KCNH2LIPE
SCHEMBL14815265 0.81 CCR2 (0.34) CCR2KCNH2LIPE
SCHEMBL14815239 0.80 KLRK1 (0.37) CCR2KCNH2LIPE
SCHEMBL14814823 0.80 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 CACNA1B 5/4885MCHR1 1693/4885CCR2 2651/4885

“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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