SCHEMBL19834079

SCHEMBL19834079

Cc1ccc(OCC2CN(C(=O)c3cc4c(cc3F)OCC(=O)N4)C2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 13/20 0.57
▸ ADRB1 P08588 2/20 0.41
▸ HTR1A P08908 2/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ HTR1D P28221 2/20 0.41
▸ HTR1B P28222 2/20 0.41
▸ HTR7 P34969 2/20 0.41
▸ DRD3 P35462 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL19847825 0.93 MGLL (0.67) MGLLADRB1HTR1ADRD2HTR1D
SCHEMBL19834118 0.92 MGLL (0.49) MGLLADRB1HTR1ADRD2HTR1D
SCHEMBL19834066 0.92 MGLL (0.57) MGLLADRB1HTR1ADRD2HTR1D
SCHEMBL19834158 0.92 MGLL (0.48) MGLLADRB1HTR1ADRD2HTR1D
SCHEMBL19833726 0.92 MGLL (0.58) MGLLADRB1HTR1ADRD2HTR1D
SCHEMBL19833794 0.92 MGLL (0.67) MGLL
SCHEMBL19847861 0.90 MGLL (0.47) MGLLADRB1HTR1ADRD2HTR1D
SCHEMBL19834164 0.90 MGLL (0.54) MGLLADRB1HTR1ADRD2HTR1D
SCHEMBL19833711 0.89 MGLL (0.57) MGLLHTR1AHTR1DHTR1BMAPT
SCHEMBL19833782 0.89 MGLL (0.55) MGLL

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 129/4885ADRB1 2034/4885HTR1A 381/4885
US-10106556-B2 Heterocyclic compound MAG, ACHE, HTT MGLL 129/4885ADRB1 2034/4885HTR1A 381/4885

“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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