SCHEMBL17455957

SCHEMBL17455957

CC(=O)c1ccc(F)cc1OC1CCN(Cc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 3/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ACHE P22303 2/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ SCN9A Q15858 2/20 0.45
▸ SCN8A Q9UQD0 2/20 0.45
▸ SCN1A P35498 1/20 0.45
▸ BCHE P06276 1/20 0.45
▸ CCR3 P51677 2/20 0.45

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
SCHEMBL17456055 0.81 MCHR1 (0.53) MCHR1SMN1; SMN2ACHESCN8ASCN1A
SCHEMBL11114435 0.81 SIGMAR1 (0.52) MCHR1CCR3
SCHEMBL10371219 0.80 KCNH2 (0.64) MCHR1SMN1; SMN2OPRK1BCHE
SCHEMBL10368699 0.79 MCHR1 (0.56) MCHR1SMN1; SMN2OPRK1BCHE
SCHEMBL10608988 0.78 MEN1 (0.59) MCHR1SMN1; SMN2ACHEBCHE
SCHEMBL17456041 0.77 CYP11B1 (0.53) MCHR1SMN1; SMN2ACHESCN8ASCN1A
SCHEMBL10608615 0.75 MCHR1 (0.59) MCHR1SMN1; SMN2ACHESCN8ASCN1A
SCHEMBL10606002 0.75 HRH3 (0.59) MCHR1SMN1; SMN2ACHEBCHE
Fumaric Acid SCHEMBL10606069 0.75 HRH1 (0.59) MCHR1SMN1; SMN2BCHE
Maleic Acid SCHEMBL10606063 0.75 HRH1 (0.59) MCHR1SMN1; SMN2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2982666-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 — — EP disclosed
US-9598398-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-21 — — US disclosed
EP-2982666-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-02-10 — — EP disclosed
US-20160024049-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-28 — — US 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 (1 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-20160024049-A1 HETEROCYCLIC COMPOUND PSEN1, PSEN2, BACE1 MCHR1 2123/4885SMN1; SMN2 23/4885ACHE 10/4885

“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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