SCHEMBL2481341

SCHEMBL2481341

COc1cc(C(=O)CCC2CCCCC2)c(OC)cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 19/20 0.66
ACHE P22303 15/20 0.66
SIGMAR1 Q99720 1/20 0.66
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL6703732 0.92 HTR4 (0.58) HTR4ACHESIGMAR1MEN1ALDH1A1
SCHEMBL7688094 0.87 HTR4 (0.61) HTR4ACHESIGMAR1MEN1ALDH1A1
SCHEMBL6699852 0.81 ACHE (0.47) HTR4ACHESIGMAR1ALDH1A1TSHR
SCHEMBL6702783 0.81 HTR4 (0.47) HTR4ACHESIGMAR1ALDH1A1TSHR
SCHEMBL30139057 0.80 ACHE (1.00) HTR4ACHESIGMAR1
SCHEMBL17709631 0.80 ACHE (1.00) HTR4ACHESIGMAR1
SCHEMBL17709636 0.80 ACHE (1.00) HTR4ACHESIGMAR1
SCHEMBL6983685 0.80 ACHE (0.47) HTR4ACHESIGMAR1MEN1ALDH1A1
SCHEMBL6698989 0.79 ACHE (0.46) HTR4ACHESIGMAR1MEN1ALDH1A1
SCHEMBL6702788 0.79 ACHE (0.62) HTR4ACHESIGMAR1MEN1ALDH1A1

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
EP-2114408-B1 SUBSTITUTED AMINOPYRIMIDINES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2011-10-12 EP disclosed
US-20100113492-A1 Substituted Aminopyrimidines as Cholecystokinin-1 Receptor Modulators MERCK & CO., INC. (US) 2010-05-06 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-20100113492-A1 Substituted Aminopyrimidines as Cholecystokinin-1 Receptor Modulators CCKAR, CCKBR, GLP1R HTR4 197/4885ACHE 4028/4885SIGMAR1 850/4885

“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.