SCHEMBL14814849

SCHEMBL14814849

FC(F)(F)c1ccnc(N2CC[C@@H]3CC[C@@H](Nc4ccc(Cl)cn4)N3C2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 1/20 0.41
▸ ADRB1 P08588 1/20 0.40
▸ CHRM4 P08173 1/20 0.38
▸ LCAT P04180 1/20 0.37
▸ PKM P14618 2/20 0.37
▸ SLC6A7 Q99884 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ ACACB O00763 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HTR2C P28335 3/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ HTR2B P41595 2/20 0.35
▸ CCR2 P41597 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL14815472 0.85 HRH3 (0.38) LCATACACBHTR2CHTR2AHTR2B
SCHEMBL14815488 0.81 SYK (0.35) RBP4LCATHTR2AKDM4EHCRTR1
SCHEMBL14815124 0.79 IDO1 (0.35) LCATIDO1TDO2KDM4EHCRTR1
SCHEMBL14815152 0.74 ADRB1 (0.40) RBP4ADRB1PKMSLC6A7CA12
SCHEMBL14815442 0.73 MGLL (0.52) RBP4KDM4EALDH1A1
SCHEMBL14814765 0.71 HCRTR1 (0.41) RBP4LCATPKMACACBHTR2C
SCHEMBL14815455 0.70 MGLL (0.49) HCRTR1HCRTR2
SCHEMBL14815518 0.70 PHGDH (0.41) ACACBHCRTR1HCRTR2
SCHEMBL14815290 0.67 HCRTR1 (0.42) PKMSLC6A7CA12CA1CA2
SCHEMBL14815483 0.67 HTR1A (0.42) PKMSLC6A7HCRTR1HCRTR2P2RX7

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 RBP4 3407/4885ADRB1 116/4885CHRM4 257/4885

“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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