SCHEMBL20103409

SCHEMBL20103409

CCc1ccc(Cl)c(C2CCC(CO)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.39
ESR2 Q92731 6/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
OPRL1 P41146 8/20 0.39
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CYP2D6 P10635 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34
EPHX2 P34913 1/20 0.33
HTR6 P50406 1/20 0.33
GPR84 Q9NQS5 1/20 0.33

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
SCHEMBL20169995 0.89 OPRL1 (0.38) OPRL1SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL15599253 0.82 SIGMAR1 (0.37) OPRL1SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL21644870 0.82 ESR1 (0.39) ESR1ESR2CYP3A4CYP2C9OPRL1
SCHEMBL20103372 0.82 ESR1 (0.39) ESR1ESR2CYP3A4CYP2C9OPRL1
SCHEMBL16962250 0.79 SLC6A2 (0.49) OPRL1SLC6A2SLC6A4SLC6A3PRMT5
SCHEMBL20103368 0.78 PTGDR2 (0.41) ESR1ESR2CYP3A4CYP2C9OPRL1
SCHEMBL20975790 0.75 OPRL1 (0.39) OPRL1SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL12807989 0.70 ESR2 (0.59) ESR1ESR2CYP3A4CYP2C9CYP2D6
SCHEMBL20204807 0.69 KDM4A (0.46)
SCHEMBL11452948 0.69 HTR6 (0.51) SLC6A2SLC6A4SLC6A3PRMT5WDR77

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-10988433-B2 Cyclohexyl GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2021-04-27 US disclosed
US-20200039914-A1 CYCLOHEXYL GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN RESEARCH & DEVELOPMENT, LLC 2020-02-06 US disclosed
WO-2018081047-A1 CYCLOHEXYL GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO 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-20200039914-A1 CYCLOHEXYL GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR65, GPR55 ESR1 243/4885ESR2 97/4885CYP3A4 3633/4885
US-10988433-B2 Cyclohexyl GPR40 agonists for the treatment of type II diabetes GPR119, GPR65, GPR55 ESR1 243/4885ESR2 97/4885CYP3A4 3633/4885

“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.