SCHEMBL7676736

SCHEMBL7676736

CN1CCN(C2=Nc3cc(Br)ccc3Nc3sc4ccc(/C(=C\C(=O)O)C(=O)O)cc4c32)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.36
HRH1 P35367 3/20 0.36
DRD2 P14416 3/20 0.36
DRD1 P21728 3/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
CHRM3 P20309 2/20 0.36
ADRA1D P25100 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
HTR2B P41595 2/20 0.36
KCNH2 Q12809 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL7653477 0.91 DRD4 (0.44) CHRM1HRH1DRD2DRD1CHRM2
SCHEMBL7666689 0.91 CHRM1 (0.46) CHRM1HRH1PAK1
SCHEMBL7658335 0.90 CHRM1 (0.48) CHRM1HRH1DRD2DRD1CHRM2
SCHEMBL7665232 0.89 CHRM1 (0.37) CHRM1HRH1DRD2DRD1CHRM2
SCHEMBL7665227 0.89 CHRM1 (0.37) CHRM1HRH1DRD2DRD1CHRM2
SCHEMBL6998924 0.86 CHRM1 (0.38) CHRM1HRH1DRD2DRD1CHRM2
SCHEMBL6991707 0.79 CHRM1 (0.49) CHRM1HRH1DRD2DRD1CHRM2
SCHEMBL6993087 0.72 CHRM1 (0.49) CHRM1HRH1DRD2DRD1CHRM2
Fumaric Acid SCHEMBL7671580 0.70 CHRM1 (0.41) CHRM1HRH1DRD2DRD1CHRM2
Maleic Acid SCHEMBL7666335 0.70 CHRM1 (0.41) CHRM1HRH1DRD2DRD1CHRM2

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-20020042411-A1 Condensed thiophene compounds and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2002-04-11 US disclosed
US-6271225-B1 PSYCHOLOGICAL DISORDERS WELFIDE CORPORATION (JP) 2001-08-07 US 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-20020042411-A1 Condensed thiophene compounds and pharmaceutical use thereof ACIN1, ACHE, TPMT CHRM1 26/4885HRH1 178/4885DRD2 620/4885

“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.