SCHEMBL5578059

SCHEMBL5578059

O=C(CCCN1CCN(c2ccccc2)CC1)c1ccc2c(c1)CCN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.59
DRD2 P14416 5/20 0.55
DRD3 P35462 4/20 0.55
HTR1A P08908 4/20 0.55
HTR2A P28223 4/20 0.55
DRD4 P21917 3/20 0.55
HTR2C P28335 3/20 0.55
HTR7 P34969 3/20 0.55
HRH1 P35367 2/20 0.47
HTR2B P41595 1/20 0.47

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
SCHEMBL6800078 0.86 MCHR1 (0.52) MCHR1DRD2DRD3HTR1AHTR2A
SCHEMBL7022259 0.84 MCHR1 (0.43) MCHR1DRD2DRD3HTR1AHTR2A
SCHEMBL5578409 0.83 MCHR1 (0.71) MCHR1DRD2DRD3HTR1AHTR2A
Hydrochloric Acid SCHEMBL5578294 0.82 MCHR1 (0.70) MCHR1DRD2DRD3HTR1AHTR2A
Trifluoroacetic Acid SCHEMBL6807449 0.81 MCHR1 (0.60) MCHR1DRD2DRD3HTR1AHTR2A
SCHEMBL5578264 0.80 ESR1 (0.49) MCHR1
SCHEMBL5418547 0.79 ESR1 (0.50) MCHR1
SCHEMBL4858111 0.78 ESR1 (0.47) MCHR1
SCHEMBL6915567 0.77 DRD3 (0.58) MCHR1DRD2DRD3HTR1AHTR2A
Trifluoroacetic Acid SCHEMBL6801570 0.77 MCHR1 (0.56) MCHR1DRD2DRD3HTR1AHTR2A

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 MCHR1 38/4885DRD2 112/4885DRD3 212/4885
US-20040053826-A1 Uses of polypeptides NPSR1, SCTR, GRPR MCHR1 38/4885DRD2 112/4885DRD3 212/4885
US-20040063699-A1 Gpr14 antagonist GPR142, GPR139, GPR4 MCHR1 191/4885DRD2 329/4885DRD3 433/4885

“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.