SCHEMBL19834158

SCHEMBL19834158

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.48
▸ MMP12 P39900 1/20 0.41
▸ HTR1D P28221 8/20 0.40
▸ HTR1A P08908 7/20 0.40
▸ HTR1B P28222 7/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ADRB1 P08588 2/20 0.40
▸ DRD2 P14416 2/20 0.40
▸ HTR7 P34969 2/20 0.40
▸ DRD3 P35462 2/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ GRIN2D O15399 1/20 0.39
▸ GRIN3B O60391 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ GRIN2C Q14957 1/20 0.39
▸ GRIN3A Q8TCU5 1/20 0.39

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
SCHEMBL19834118 0.94 MGLL (0.49) MGLLMMP12HTR1DHTR1AHTR1B
SCHEMBL19833744 0.93 MGLL (0.54) MGLLHTR1DHTR1AHTR1BMAPT
SCHEMBL19847861 0.92 MGLL (0.47) MGLLMMP12HTR1DHTR1AHTR1B
SCHEMBL19834079 0.92 MGLL (0.57) MGLLMMP12HTR1DHTR1AHTR1B
SCHEMBL19834075 0.92 MGLL (0.51) MGLLHTR1DHTR1AHTR1BADRB1
SCHEMBL19834071 0.89 MGLL (0.44) MGLLMMP12HTR1DHTR1AHTR1B
SCHEMBL19834063 0.87 MGLL (0.48) MGLLHTR1DHTR1AHTR1BADRB1
SCHEMBL19833716 0.87 MGLL (0.48) MGLLHTR1DHTR1AHTR1BADRB1
SCHEMBL19834017 0.86 MGLL (0.54) MGLLHTR1DHTR1AHTR1BMAPT
SCHEMBL19834005 0.86 HTR1A (0.43) MGLLMMP12HTR1DHTR1AHTR1B

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 129/4885MMP12 433/4885HTR1D 567/4885
US-10106556-B2 Heterocyclic compound MAG, ACHE, HTT MGLL 129/4885MMP12 433/4885HTR1D 567/4885

“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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