SCHEMBL6996513

SCHEMBL6996513

CN1CCN(C2=Nc3ccc(F)cc3Nc3sc4c(O)cccc4c32)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.44
HRH1 P35367 3/20 0.44
PAK1 Q13153 1/20 0.44
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
CHRM5 P08912 2/20 0.44
ADRA2A P08913 2/20 0.44
DRD2 P14416 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
CHRM3 P20309 2/20 0.44
DRD1 P21728 2/20 0.44
ADRA1D P25100 2/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44
HTR2B P41595 2/20 0.44
KCNH2 Q12809 2/20 0.44
MAPK1 P28482 2/20 0.44

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
SCHEMBL6992981 0.88 CHRM1 (0.44) CHRM1HRH1PAK1CHRM2CHRM4
SCHEMBL7000664 0.85 CHRM1 (0.44) CHRM1HRH1PAK1CHRM2CHRM4
SCHEMBL6990220 0.84 CHRM1 (0.49) CHRM1HRH1PAK1CHRM2CHRM4
SCHEMBL6998645 0.82 CHRM1 (0.49) CHRM1HRH1PAK1CHRM2CHRM4
SCHEMBL6998153 0.82 CHRM1 (0.45) CHRM1HRH1PAK1CHRM2CHRM4
SCHEMBL6994187 0.82 CHRM1 (0.45) CHRM1HRH1PAK1CHRM2CHRM4
SCHEMBL6999455 0.81 CHRM1 (0.46) CHRM1HRH1PAK1CHRM2CHRM4
Maleic Acid SCHEMBL7669315 0.79 CHRM1 (0.43) CHRM1HRH1PAK1CHRM2CHRM4
SCHEMBL6994810 0.79 CHRM1 (0.46) CHRM1HRH1PAK1CHRM2CHRM4
SCHEMBL6993572 0.79 CHRM1 (0.46) CHRM1HRH1PAK1CHRM2CHRM4

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
EP-1016664-B1 FUSED THIOPHENE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2003-07-02 EP disclosed
US-6455521-B1 PSYCHOLOGICAL DISORDERS; SIDE EFFECT REDUCTION MITSUBISHI PHARMA CORPORATION (JP) 2002-09-24 US disclosed
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
EP-1016664-A1 FUSED THIOPHENE COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-07-05 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-20020042411-A1 Condensed thiophene compounds and pharmaceutical use thereof ACIN1, ACHE, TPMT CHRM1 26/4885HRH1 178/4885PAK1 2836/4885

“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.