SCHEMBL21085013

SCHEMBL21085013

OCCCC1CC[CH]CC1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
CHRM3 P20309 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
AKR1C3 P42330 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
SCHEMBL21085141 0.93 SIGMAR1 (0.32) ESR2CYP1A2CHRM2CHRM4CHRM5
SCHEMBL4069123 0.84
SCHEMBL79852 0.81
SCHEMBL1543625 0.81 CYP1A2 (0.38) ESR2CYP1A2CHRM2CHRM4CHRM5
SCHEMBL17090744 0.78
SCHEMBL21085070 0.78 CYP1A2 (0.31) CYP1A2
SCHEMBL79065 0.76
SCHEMBL78714 0.76
SCHEMBL18421585 0.76 ESR2 (0.43) ESR2CYP1A2
SCHEMBL18421980 0.76 SIGMAR1 (0.37) ESR2CYP1A2CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116783179-A Compounds and methods for targeted degradation of androgen receptor proteins 阿尔维纳斯运营股份有限公司 2023-09-19 CN disclosed
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 ESR2 4035/4885CYP1A2 4614/4885CHRM2 2831/4885
US-10759749-B2 Therapeutic agent for diabetes GPR119, IAPP, DPP4 ESR2 4360/4885CYP1A2 3926/4885CHRM2 2729/4885

“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.