SCHEMBL20695388

SCHEMBL20695388

O=C1CCC2(CN(C(=O)c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)C2)N1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.46
▸ GHSR Q92847 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ MMP2 P08253 2/20 0.43
▸ MMP9 P14780 2/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ HSD11B1 P28845 1/20 0.42
▸ EPHX2 P34913 4/20 0.42
▸ MGLL Q99685 2/20 0.42
▸ ENPP2 Q13822 2/20 0.41
▸ ATXN2 Q99700 2/20 0.41
▸ SLC6A7 Q99884 1/20 0.40
▸ LSS P48449 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ CRBN Q96SW2 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
SCHEMBL20695498 0.90 SLC6A7 (0.54) GHSRHSD11B1MGLLSLC6A7SCN9A
SCHEMBL20695282 0.88 FFAR4 (0.46) HRH3GHSRENPP2ATXN2SLC6A7
SCHEMBL20695406 0.88 ENPP2 (0.44) HRH3GHSRHSD11B1MGLLENPP2
SCHEMBL20695169 0.85 MEN1 (0.47) HSD11B1EPHX2MGLLSLC6A7
SCHEMBL20695404 0.84 FFAR4 (0.42) HTR2BHSD11B1MGLLSCN9ACRBN
SCHEMBL20945342 0.82 MGLL (0.38) MGLLSLC6A7CRBN
SCHEMBL20695191 0.82 RXRA (0.46) MGLLSLC6A7
SCHEMBL20695210 0.82 MAPK1 (0.50) GHSRSLC6A7CRBN
SCHEMBL20695153 0.81 SLC6A7 (0.42) MGLLSLC6A7LSS
SCHEMBL20695446 0.80 HPGD (0.47) HSD11B1MGLLCRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10610520-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-04-07 — — US disclosed
US-20190125728-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-02 — — US disclosed
US-20190125728-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-02 — — US disclosed
EP-3438109-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-02-06 — — EP disclosed
EP-3438109-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-02-06 — — 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-20190125728-A1 HETEROCYCLIC COMPOUND MAG, HTT, ACHE HRH3 1146/4885GHSR 1876/4885HTR2B 513/4885
US-10610520-B2 Heterocyclic compound MAG, HTT, ACHE HRH3 1146/4885GHSR 1876/4885HTR2B 513/4885

“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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