SCHEMBL6915567

SCHEMBL6915567

O=C(CCCN1CCN(c2ccccc2)CC1)c1ccc2c(c1)CNCCC2

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.58
DRD2 P14416 7/20 0.58
HTR1A P08908 6/20 0.58
HTR2A P28223 6/20 0.58
DRD4 P21917 5/20 0.58
HTR7 P34969 5/20 0.58
HTR2C P28335 4/20 0.58
ACHE P22303 1/20 0.57
MCHR1 Q99705 4/20 0.56
HTR2B P41595 2/20 0.47
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HRH1 P35367 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
SCHEMBL5578409 0.88 MCHR1 (0.71) DRD3DRD2HTR1AHTR2ADRD4
Hydrochloric Acid SCHEMBL5578294 0.87 MCHR1 (0.70) DRD3DRD2HTR1AHTR2ADRD4
SCHEMBL6914762 0.85 ACHE (0.54) DRD3DRD2HTR1AHTR2ADRD4
SCHEMBL6918983 0.83 ACHE (0.71) ACHEMCHR1
SCHEMBL6909910 0.81 ACHE (0.54) DRD3DRD2HTR1AHTR2ADRD4
SCHEMBL6917619 0.81 ACHE (0.61) DRD3DRD2HTR1AHTR2ADRD4
SCHEMBL6914709 0.81 ACHE (0.52) DRD3DRD2HTR1AHTR2ADRD4
SCHEMBL6916872 0.80 ACHE (0.60) DRD3DRD2HTR1AHTR2ADRD4
SCHEMBL6918881 0.80 ACHE (0.60) DRD3DRD2HTR1AHTR2ADRD4
SCHEMBL7065256 0.78 TSHR (0.48) DRD3DRD2HTR1AHTR2ADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063699-A1 Gpr14 antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
EP-1310490-A1 GPR14 ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-05-14 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 (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-20040063699-A1 Gpr14 antagonist GPR142, GPR139, GPR4 DRD3 433/4885DRD2 329/4885HTR1A 195/4885

“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.