SCHEMBL14815483

SCHEMBL14815483

O=C(c1ccc(F)c(Cl)c1)N1CC[C@@H]2CC[C@@H](Nc3nccc(C(F)(F)F)n3)N2C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 8/20 0.42
▸ HCRTR1 O43613 2/20 0.41
▸ HCRTR2 O43614 2/20 0.41
▸ SLC6A7 Q99884 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.39
▸ SYK P43405 1/20 0.39
▸ PKM P14618 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ SLC6A4 P31645 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ RHOC P08134 1/20 0.36
▸ RHOA P61586 1/20 0.36

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
SCHEMBL14815290 0.82 HCRTR1 (0.42) HCRTR1HCRTR2SLC6A7HDAC8SYK
SCHEMBL14814937 0.77 HTR1A (0.43) HTR1ASLC6A7HDAC8SYK
SCHEMBL14815488 0.73 SYK (0.35) HTR1AHCRTR1HCRTR2SYKSLC6A4
SCHEMBL14815442 0.72 MGLL (0.52) SYKRHOCRHOA
SCHEMBL14815455 0.71 MGLL (0.49) HCRTR1HCRTR2SYKRHOCRHOA
SCHEMBL14815286 0.71 SYK (0.42) HDAC8SYK
SCHEMBL14814765 0.70 HCRTR1 (0.41) HTR1AHCRTR1HCRTR2SYKPKM
SCHEMBL14815325 0.69 MGLL (0.59) RHOCRHOA
SCHEMBL14814849 0.67 RBP4 (0.41) HCRTR1HCRTR2SLC6A7PKMP2RX7
SCHEMBL14815178 0.67 MGLL (0.56) RHOCRHOA

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 HTR1A 366/4885HCRTR1 654/4885HCRTR2 434/4885

“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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