SCHEMBL20103372

SCHEMBL20103372

CCc1ccc(F)c([C@H]2CC[C@H](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
SOS1 Q07889 1/20 0.38
CYP2D6 P10635 1/20 0.36
OPRL1 P41146 4/20 0.34
FFAR1 O14842 4/20 0.34
NUDT1 P36639 1/20 0.33
BACE1 P56817 1/20 0.33
HTR6 P50406 1/20 0.33
TRPA1 O75762 1/20 0.33
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 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
SCHEMBL21644870 1.00 ESR1 (0.39) ESR1ESR2CYP3A4CYP2C9SOS1
SCHEMBL18295013 0.89 SOS1 (0.40) SOS1OPRL1NUDT1BACE1HTR6
SCHEMBL765783 0.82 BACE1 (0.41) SOS1OPRL1NUDT1BACE1HTR6
SCHEMBL14297935 0.82 BACE1 (0.44) SOS1OPRL1NUDT1BACE1HTR6
SCHEMBL20103409 0.82 ESR1 (0.39) ESR1ESR2CYP3A4CYP2C9CYP2D6
SCHEMBL14314452 0.81 NUDT1 (0.46) SOS1OPRL1NUDT1BACE1
SCHEMBL20103666 0.81 OPRL1 (0.43) ESR1ESR2CYP3A4CYP2C9CYP2D6
SCHEMBL20103351 0.80 ESR2 (0.54) ESR1ESR2CYP3A4CYP2C9CYP2D6
SCHEMBL16344820 0.79 CYP4F2 (0.45) SOS1OPRL1NUDT1BACE1HTR6
SCHEMBL25147461 0.78 RPS6KA3 (0.38) SOS1OPRL1

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 5 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-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
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.