SCHEMBL21085141

SCHEMBL21085141

OCCCCC1CC[CH]CC1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.32
CHRM2 P08172 5/20 0.31
CHRM4 P08173 5/20 0.31
CHRM5 P08912 5/20 0.31
CHRM1 P11229 5/20 0.31
CHRM3 P20309 5/20 0.31
DRD2 P14416 2/20 0.31
DRD4 P21917 2/20 0.31
DRD3 P35462 2/20 0.31
ESR2 Q92731 1/20 0.31
CYP1A2 P05177 1/20 0.30
EPHX1 P07099 1/20 0.30

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
SCHEMBL21085013 0.93 ESR2 (0.31) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4069123 0.82
SCHEMBL10772436 0.82 SIGMAR1 (0.39) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL330353 0.82
SCHEMBL330197 0.79 SIGMAR1 (0.42) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL9154269 0.79 SIGMAR1 (0.42) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL18421980 0.79 SIGMAR1 (0.37) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL11880727 0.79 SIGMAR1 (0.42) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL1534917 0.79 SIGMAR1 (0.42) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL11691906 0.79 SIGMAR1 (0.42) SIGMAR1CHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759749-B2 Therapeutic agent for diabetes JCR PHARMACEUTICALS CO., LTD. (JP) 2020-09-01 US disclosed
EP-3508474-A1 NOVEL THERAPEUTIC AGENT FOR DIABETES JCR Pharmaceuticals Co., Ltd. (JP) 2019-07-10 EP disclosed
US-20190202781-A1 NOVEL THERAPEUTIC AGENT FOR DIABETES JCR PHARMACEUTICALS CO., LTD. (JP) 2019-07-04 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 (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-20190202781-A1 NOVEL THERAPEUTIC AGENT FOR DIABETES GPR119, IAPP, DPP4 SIGMAR1 3095/4885CHRM2 2831/4885CHRM4 2771/4885
US-10759749-B2 Therapeutic agent for diabetes GPR119, IAPP, DPP4 SIGMAR1 2853/4885CHRM2 2729/4885CHRM4 2748/4885

“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.