SCHEMBL14814937

SCHEMBL14814937

O=C(c1ccc(F)c(Cl)c1)N1CCN2C[C@@H](Nc3nccc(C(F)(F)F)n3)C[C@H]2C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.43
▸ MGLL Q99685 7/20 0.42
▸ HDAC8 Q9BY41 2/20 0.42
▸ SYK P43405 1/20 0.40
▸ SLC6A7 Q99884 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ CDK12 Q9NYV4 1/20 0.39
▸ PDE2A O00408 1/20 0.38
▸ CCNC P24863 1/20 0.37
▸ CDK8 P49336 1/20 0.37

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
SCHEMBL14814985 0.82 HSD11B1 (0.45) HDAC8SYKSLC6A7HSD11B1CCNC
SCHEMBL14833380 0.82 HSD11B1 (0.45) HDAC8SYKSLC6A7HSD11B1CCNC
SCHEMBL14815483 0.77 HTR1A (0.42) HTR1AHDAC8SYKSLC6A7
SCHEMBL14814550 0.77 KMT2A (0.50) HTR1AMGLLHSD11B1
SCHEMBL14830396 0.77 KMT2A (0.50) HTR1AMGLLHSD11B1
SCHEMBL14814591 0.76 L3MBTL3 (0.50) MGLL
SCHEMBL14833257 0.76 L3MBTL3 (0.50) MGLL
SCHEMBL14815464 0.75 MGLL (0.42) MGLLHSD11B1CDK12
SCHEMBL14815130 0.73 DRD2 (0.42) HDAC8SYKHSD11B1CCNCCDK8
SCHEMBL14815122 0.71 MGLL (0.48) MGLLSYKCDK12

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 3 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-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 HTR1A 366/4885MGLL 4703/4885HDAC8 2020/4885

“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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