SCHEMBL19833703

SCHEMBL19833703

CC(C)(O)c1cc(F)ccc1OCC1CCN(C(=O)c2cc3c(cc2F)OCC(=O)N3)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 13/20 0.60
▸ RBP4 P02753 2/20 0.46
▸ HTR1D P28221 4/20 0.43
▸ HTR1A P08908 3/20 0.43
▸ HTR1B P28222 3/20 0.43
▸ ADRB1 P08588 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ NR3C2 P08235 1/20 0.41

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
SCHEMBL19833811 0.87 MGLL (0.62) MGLLRBP4HTR1DHTR1AHTR1B
SCHEMBL19833781 0.87 MGLL (0.64) MGLLHTR1DHTR1AHTR1BADRB1
SCHEMBL19833803 0.87 MGLL (0.79) MGLLHTR1DHTR1AHTR1BNR3C2
SCHEMBL19833732 0.86 MGLL (0.63) MGLLHTR1DHTR1AHTR1BADRB1
SCHEMBL19833833 0.84 MGLL (0.60) MGLLHTR1DHTR1AHTR1BADRB1
SCHEMBL19847825 0.82 MGLL (0.67) MGLLHTR1DHTR1AHTR1BADRB1
SCHEMBL19833871 0.82 MGLL (0.79) MGLLHTR1DHTR1AHTR1BNR3C2
SCHEMBL19834150 0.82 MGLL (0.78) MGLLHTR1DHTR1AHTR1B
SCHEMBL19834132 0.81 MGLL (0.47) MGLLRBP4HTR1DHTR1AHTR1B
SCHEMBL19833773 0.81 MGLL (0.61) MGLLHTR1DHTR1AHTR1BADRB1

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 129/4885RBP4 4756/4885HTR1D 567/4885
US-10106556-B2 Heterocyclic compound MAG, ACHE, HTT MGLL 129/4885RBP4 4756/4885HTR1D 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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