SCHEMBL5578264

SCHEMBL5578264

O=C(CCCBr)c1ccc2c(c1)CCN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.49
▸ ESR2 Q92731 3/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.46
▸ MCHR1 Q99705 14/20 0.46
▸ CTNNB1 P35222 1/20 0.42
▸ WNT3A P56704 1/20 0.42

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
SCHEMBL4858111 0.88 ESR1 (0.47) ESR1ESR2HDAC6MCHR1CTNNB1
SCHEMBL4071348 0.86 ESR1 (0.50) ESR1ESR2HDAC6MCHR1CTNNB1
SCHEMBL5418547 0.86 ESR1 (0.50) ESR1ESR2HDAC6MCHR1CTNNB1
SCHEMBL12387505 0.83 ESR1 (0.52) ESR1ESR2HDAC6MCHR1CTNNB1
SCHEMBL1366408 0.83 ESR1 (0.52) ESR1ESR2HDAC6MCHR1CTNNB1
Hydrochloric Acid SCHEMBL2315162 0.82 ESR1 (0.51) ESR1ESR2HDAC6MCHR1CTNNB1
SCHEMBL1640514 0.82 ESR1 (0.51) ESR1ESR2HDAC6MCHR1CTNNB1
SCHEMBL7227822 0.81 MCHR1 (0.55) ESR1ESR2HDAC6MCHR1
SCHEMBL1367533 0.81 ESR1 (0.64) ESR1ESR2HDAC6MCHR1
SCHEMBL7423258 0.80 ESR1 (0.57) ESR1ESR2HDAC6

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-20070232538-A1 Uses of polypeptides TAKEDA PHARMACEUTICAL COMPANY, LTD (JP) 2007-10-04 — — US disclosed
US-20040063699-A1 Gpr14 antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 — — US disclosed
US-20040053826-A1 Uses of polypeptides TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-18 — — US disclosed
EP-1310490-A1 GPR14 ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-05-14 — — EP disclosed
EP-1308513-A1 USE OF POLYPEPTIDE Takeda Chemical Industries, Ltd. (JP) 2003-05-07 — — 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 (3 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-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR ESR1 850/4885ESR2 1305/4885HDAC6 3260/4885
US-20040053826-A1 Uses of polypeptides NPSR1, SCTR, GRPR ESR1 850/4885ESR2 1305/4885HDAC6 3260/4885
US-20040063699-A1 Gpr14 antagonist GPR142, GPR139, GPR4 ESR1 103/4885ESR2 115/4885HDAC6 1393/4885

“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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