SCHEMBL19834042

SCHEMBL19834042

N#Cc1cc(C(F)(F)F)ccc1OCC1CCN(C(=O)c2cc3c(cc2F)OCC(=O)N3)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 8/20 0.53
▸ SLC6A9 P48067 2/20 0.40
▸ TRPV1 Q8NER1 1/20 0.39
▸ NR3C1 P04150 1/20 0.38
▸ NR3C2 P08235 1/20 0.38
▸ HTR1D P28221 5/20 0.38
▸ HTR1A P08908 4/20 0.38
▸ HTR1B P28222 4/20 0.38
▸ USP30 Q70CQ3 1/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ SCN8A Q9UQD0 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ CNR2 P34972 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
SCHEMBL19833922 0.89 MGLL (0.58) MGLLHTR1DHTR1AHTR1BUSP30
SCHEMBL19833988 0.88 MGLL (0.66) MGLLTRPV1NR3C1NR3C2HTR1D
SCHEMBL19833768 0.84 MGLL (0.47) MGLLSLC6A9TRPV1NR3C1NR3C2
SCHEMBL19834163 0.84 MGLL (0.58) MGLLHTR1DHTR1AHTR1BUSP30
SCHEMBL19833785 0.83 MGLL (0.65) MGLLSLC6A9HTR1DHTR1AHTR1B
SCHEMBL19833792 0.82 MGLL (0.49) MGLLNR3C1NR3C2HTR1DHTR1A
SCHEMBL19833782 0.82 MGLL (0.55) MGLLTRPV1
SCHEMBL19833732 0.81 MGLL (0.63) MGLLHTR1DHTR1AHTR1BADRB1
SCHEMBL19833781 0.81 MGLL (0.64) MGLLNR3C2HTR1DHTR1AHTR1B
SCHEMBL19833803 0.81 MGLL (0.79) MGLLNR3C2HTR1DHTR1AHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3279191-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-09-02 — — EP disclosed
EP-3279191-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-09-02 — — EP disclosed
US-10106556-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-23 — — US disclosed
US-20180079756-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-22 — — US disclosed
US-20180079756-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-22 — — US disclosed
EP-3279191-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-07 — — EP disclosed
EP-3279191-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-07 — — EP 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 (2 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-20180079756-A1 HETEROCYCLIC COMPOUND MAG, ACHE, HTT MGLL 129/4885SLC6A9 907/4885TRPV1 44/4885
US-10106556-B2 Heterocyclic compound MAG, ACHE, HTT MGLL 129/4885SLC6A9 907/4885TRPV1 44/4885

“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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