SCHEMBL14815152

SCHEMBL14815152

FC(F)(F)c1ccnc(N2CCN3C[C@@H](Nc4ccc(Cl)cn4)C[C@H]3C2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 1/20 0.40
▸ PKM P14618 2/20 0.39
▸ SLC6A7 Q99884 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.37
▸ RBP4 P02753 1/20 0.37
▸ CHRM2 P08172 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ ACACB O00763 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CCR2 P41597 2/20 0.36
▸ NR1H3 Q13133 2/20 0.36
▸ CCR5 P51681 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ P2RX7 Q99572 1/20 0.35
▸ NR1H2 P55055 2/20 0.35

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
SCHEMBL14814634 0.85 GRIN2B (0.37) ACACBCCR2CCR5KCNH2
SCHEMBL14815130 0.81 DRD2 (0.42) KMT2A
SCHEMBL14814812 0.79 DRD2 (0.42) CA12CA1CA2CA9
SCHEMBL14814849 0.74 RBP4 (0.41) ADRB1PKMSLC6A7CA12CA1
SCHEMBL14815122 0.72 MGLL (0.48) KDM4EALDH1A1KMT2A
SCHEMBL14815283 0.71 PHGDH (0.40) —
SCHEMBL14815138 0.70 PHGDH (0.43) ACACB
SCHEMBL14815322 0.69 MGLL (0.46) KMT2A
SCHEMBL14814985 0.68 HSD11B1 (0.45) PKMSLC6A7CA12CA1CA2
SCHEMBL14833380 0.68 HSD11B1 (0.45) PKMSLC6A7CA12CA1CA2

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 2 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 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 ADRB1 116/4885PKM 2751/4885SLC6A7 656/4885

“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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