SCHEMBL6916872

SCHEMBL6916872

O=C(CCCN1CCN(Cc2ccc(F)cc2)CC1)c1ccc2c(c1)CNCCC2

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.60
TSHR P16473 1/20 0.51
MCHR1 Q99705 4/20 0.49
DRD2 P14416 8/20 0.49
DRD3 P35462 5/20 0.49
DRD4 P21917 5/20 0.49
HTR1A P08908 4/20 0.47
HTR2A P28223 4/20 0.47
HTR2C P28335 3/20 0.47
HTR7 P34969 2/20 0.47
HRH1 P35367 3/20 0.47
HTR2B P41595 2/20 0.47
CHRM1 P11229 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR6 P50406 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL6917619 0.91 ACHE (0.61) ACHEMCHR1DRD2DRD3DRD4
SCHEMBL6918181 0.87 ACHE (0.59) ACHEMCHR1DRD3HTR1ADRD1
SCHEMBL7065256 0.86 TSHR (0.48) ACHETSHRMCHR1DRD2DRD3
Trifluoroacetic Acid SCHEMBL6807224 0.83 ACHE (0.57) ACHETSHRMCHR1DRD2DRD3
SCHEMBL6915567 0.80 DRD3 (0.58) ACHEMCHR1DRD2DRD3DRD4
SCHEMBL6909910 0.80 ACHE (0.54) ACHEMCHR1DRD2DRD3DRD4
SCHEMBL5578112 0.79 MCHR1 (0.73) ACHEMCHR1DRD2DRD3HTR1A
SCHEMBL6914762 0.78 ACHE (0.54) ACHEMCHR1DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL5578270 0.78 MCHR1 (0.72) ACHEMCHR1DRD2DRD3HTR1A
SCHEMBL6918983 0.77 ACHE (0.71) ACHEMCHR1

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 ACHE 4719/4885TSHR 1026/4885MCHR1 191/4885

“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.