SCHEMBL4610480

SCHEMBL4610480

COc1ccccc1C(O)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
DRD2 P14416 1/20 0.46
ADRA2B P18089 1/20 0.46
DRD1 P21728 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HRH1 P35367 1/20 0.46
ADRA1B P35368 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46
KCNQ1 P51787 1/20 0.46
KCNH2 Q12809 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 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
SCHEMBL4610694 1.00 CHRM2 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL31280907 0.81 PDE2A (0.45) DRD2ADRA2BDRD1HTR2AHTR2C
SCHEMBL6273482 0.81 CTSA (0.44) HTR2C
SCHEMBL18306406 0.80 HTR2B (0.58) DRD2ADRA2BDRD1HTR2AHTR2C
SCHEMBL14862503 0.77 CA1 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7259231 0.77 CA1 (0.60) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3048141 0.76 HTR2C (0.55) DRD2ADRA2BDRD1HTR2AHTR2C
SCHEMBL6452038 0.76 ALDH1A1 (0.39) TSHRPOLB
SCHEMBL3048145 0.76 HTR2C (0.55) DRD2ADRA2BDRD1HTR2AHTR2C
SCHEMBL4225398 0.76 HTR2C (0.55) DRD2ADRA2BDRD1HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1308436-B1 CALCIUM RECEPTOR ANTAGONISTS JAPAN TOBACCO INC (JP) 2008-10-15 EP disclosed
US-7211685-B2 Calcium receptor antagonists JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-7211685-B2 Calcium receptor antagonists JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-7211685-B2 Calcium receptor antagonists JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-6916956-B2 Calcium receptor antagonist JAPAN TOBACCO, INC. (JP) 2005-07-12 US disclosed
US-20050107448-A1 Calcium receptor antagonists JAPAN TABACCO INC. 2005-05-19 US disclosed
US-20040006130-A1 Calcium receptor antagonist JAPAN TOBACCO INC (JP) 2004-01-08 US disclosed
EP-1308436-A1 CALCIUM RECEPTOR ANTAGONISTS JAPAN TOBACCO INC. (JP) 2003-05-07 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 (2 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-20050107448-A1 Calcium receptor antagonists CASR, CALCR, CALCRL CHRM2 166/4885CHRM4 731/4885CHRM5 406/4885
US-20040006130-A1 Calcium receptor antagonist CALCRL, CASR, CALCR CHRM2 847/4885CHRM4 2092/4885CHRM5 1201/4885

“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.