SCHEMBL5578259

SCHEMBL5578259

O=C(CCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc2c(c1)CCNCC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.57
TSHR P16473 1/20 0.52
DRD3 P35462 7/20 0.50
DRD2 P14416 6/20 0.50
DRD4 P21917 5/20 0.50
CYP2D6 P10635 1/20 0.48
HTR2A P28223 4/20 0.48
HTR7 P34969 3/20 0.48
HTR1A P08908 4/20 0.47
HRH1 P35367 2/20 0.47
HTR2B P41595 1/20 0.47
ADRA1A P35348 2/20 0.46
ADRA1B P35368 1/20 0.46
HTR2C P28335 2/20 0.46
ACHE P22303 2/20 0.46
SLC18A3 Q16572 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
MEN1 O00255 1/20 0.45
CHRM2 P08172 1/20 0.45
ADRA2A P08913 1/20 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
Hydrochloric Acid SCHEMBL5578288 0.99 MCHR1 (0.56) MCHR1TSHRDRD3DRD2DRD4
Trifluoroacetic Acid SCHEMBL6800741 0.95 MCHR1 (0.54) MCHR1TSHRDRD3DRD2DRD4
SCHEMBL5578077 0.90 MCHR1 (0.67) MCHR1DRD3DRD2DRD4HTR2A
Hydrochloric Acid SCHEMBL5578192 0.89 MCHR1 (0.66) MCHR1DRD3DRD2DRD4HTR2A
SCHEMBL7065256 0.89 TSHR (0.48) MCHR1TSHRDRD3DRD2DRD4
Trifluoroacetic Acid SCHEMBL6803243 0.84 MCHR1 (0.59) MCHR1DRD3DRD2HTR2AHTR7
SCHEMBL6800992 0.83 DRD2 (0.50) DRD3DRD2HTR1A
Hydrochloric Acid SCHEMBL5578018 0.83 DRD2 (0.49) DRD3DRD2HTR1A
Trifluoroacetic Acid SCHEMBL6807224 0.80 ACHE (0.57) MCHR1TSHRDRD3DRD2DRD4
SCHEMBL6914762 0.79 ACHE (0.54) MCHR1DRD3DRD2DRD4HTR2A

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 38/4885TSHR 52/4885DRD3 212/4885
US-20040053826-A1 Uses of polypeptides NPSR1, SCTR, GRPR MCHR1 38/4885TSHR 52/4885DRD3 212/4885
US-20040063699-A1 Gpr14 antagonist GPR142, GPR139, GPR4 MCHR1 191/4885TSHR 1026/4885DRD3 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.