SCHEMBL19834064

SCHEMBL19834064

Cc1ccc(OCC2CN(C(=O)c3cc4c(cc3F)OCC(=O)N4)C2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.43
▸ HTR1A P08908 3/20 0.42
▸ HTR1D P28221 2/20 0.42
▸ HTR1B P28222 2/20 0.42
▸ HCRTR2 O43614 2/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TP53 P04637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CPS1 P31327 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL19833978 0.95 MGLL (0.43) MGLLHTR1AHTR1DHTR1BHCRTR2
SCHEMBL19834130 0.93 MGLL (0.47) MGLLHTR1AHTR1DHTR1BHCRTR2
SCHEMBL19833937 0.93 HCRTR2 (0.47) MGLLHTR1AHTR1DHTR1BHCRTR2
SCHEMBL19833878 0.92 MGLL (0.45) MGLLHTR1AHTR1DHTR1BHCRTR2
SCHEMBL19834071 0.91 MGLL (0.44) MGLLHTR1AHTR1DHTR1BHCRTR2
SCHEMBL19833976 0.91 MGLL (0.47) MGLLHTR1AHTR1DHTR1BHCRTR2
SCHEMBL19834073 0.90 MGLL (0.49) MGLLHTR1AHTR1DHTR1BMAPT
SCHEMBL19834005 0.89 HTR1A (0.43) MGLLHTR1AHTR1DHTR1BHCRTR2
SCHEMBL19834109 0.88 CHRNA7 (0.46) MGLLHTR1AHTR1DHTR1BPDE3B
SCHEMBL19847906 0.88 HCRTR2 (0.41) HCRTR2HCRTR1CPS1

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 129/4885HTR1A 381/4885HTR1D 567/4885
US-10106556-B2 Heterocyclic compound MAG, ACHE, HTT MGLL 129/4885HTR1A 381/4885HTR1D 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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