SCHEMBL14814656

SCHEMBL14814656

O=C(c1ccccc1C(F)(F)F)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.54
▸ SCD O00767 4/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ HCRTR2 O43614 1/20 0.40
▸ HSD11B1 P28845 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ RBP4 P02753 1/20 0.39
▸ P2RX7 Q99572 1/20 0.38
▸ CCR5 P51681 1/20 0.38

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
SCHEMBL14814809 0.92 MGLL (0.48) MGLLP2RX7
SCHEMBL14814766 0.89 MGLL (0.42) MGLLSCDHCRTR1HCRTR2P2RX7
SCHEMBL15793648 0.88 MGLL (0.43) MGLLHCRTR2P2RX7
SCHEMBL15793298 0.88 MGLL (0.43) MGLLHCRTR2P2RX7
SCHEMBL15793460 0.88 MGLL (0.43) MGLLHCRTR2P2RX7
SCHEMBL15799321 0.88 MGLL (0.43) MGLLHCRTR2P2RX7
SCHEMBL15793961 0.88 MGLL (0.43) MGLLHCRTR2P2RX7
SCHEMBL14814882 0.87 MGLL (0.42) MGLLHCRTR1HCRTR2
SCHEMBL14815151 0.84 SCN9A (0.43) MGLLHSD11B1CYP2C9CYP2C19
SCHEMBL14814943 0.84 LIPG (0.43) MGLL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669255-B2 Substituted octahydropyrrolo[1,2-a]pyrazines as calcium channel blockers ABBVIE INC. (US) 2014-03-11 — — US claimed
US-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — US claimed
US-8669255-B2 Substituted octahydropyrrolo[1,2-a]pyrazines as calcium channel blockers ABBVIE INC. (US) 2014-03-11 — — US disclosed
US-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — US disclosed

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 MGLL 4703/4885SCD 4606/4885HCRTR1 654/4885

“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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