SCHEMBL6909910

SCHEMBL6909910

O=C(CCCN1CCN(Cc2cccc3ccccc23)CC1)c1ccc2c(c1)CNCCC2

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.54
MCHR1 Q99705 5/20 0.49
HTR1A P08908 5/20 0.49
HTR2A P28223 5/20 0.49
HTR7 P34969 5/20 0.49
DRD3 P35462 5/20 0.49
DRD2 P14416 4/20 0.49
HTR2C P28335 4/20 0.49
DRD4 P21917 2/20 0.49
HTR2B P41595 3/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ESR1 P03372 1/20 0.41
HRH1 P35367 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5577968 0.89 MCHR1 (0.61) ACHEMCHR1HTR1AHTR2AHTR7
Hydrochloric Acid SCHEMBL5578139 0.88 MCHR1 (0.60) ACHEMCHR1HTR1AHTR2AHTR7
Trifluoroacetic Acid SCHEMBL6807242 0.83 MCHR1 (0.57) ACHEMCHR1HTR1AHTR2AHTR7
SCHEMBL6915567 0.81 DRD3 (0.58) ACHEMCHR1HTR1AHTR2AHTR7
SCHEMBL6917619 0.81 ACHE (0.61) ACHEMCHR1HTR1AHTR2AHTR7
SCHEMBL6916872 0.80 ACHE (0.60) ACHEMCHR1HTR1AHTR2AHTR7
SCHEMBL6914762 0.79 ACHE (0.54) ACHEMCHR1HTR1AHTR2AHTR7
SCHEMBL6918983 0.76 ACHE (0.71) ACHEMCHR1
SCHEMBL6914709 0.75 ACHE (0.52) ACHEMCHR1HTR1AHTR2AHTR7
SCHEMBL7065256 0.74 TSHR (0.48) ACHEMCHR1HTR1AHTR2AHTR7

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 4719/4885MCHR1 191/4885HTR1A 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.