SCHEMBL20103404

SCHEMBL20103404

COc1cc(C2CCC(CO)CC2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.46
ESR2 Q92731 6/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
TLR9 Q9NR96 7/20 0.46
TLR7 Q9NYK1 7/20 0.46
TLR8 Q9NR97 4/20 0.46
CSNK2A2 P19784 1/20 0.43
CSNK2A1 P68400 1/20 0.43
CYP2D6 P10635 1/20 0.42
LOX P28300 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
FFAR1 O14842 2/20 0.41
PROKR1 Q8TCW9 1/20 0.40
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
CCR2 P41597 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL12093555 0.87 LOX (0.47) TLR9TLR7TLR8LOXLOXL2
SCHEMBL12093662 0.80 PROKR1 (0.48) TLR9TLR7TLR8LOXLOXL2
SCHEMBL12093696 0.80 PROKR1 (0.48) TLR9TLR7TLR8LOXLOXL2
SCHEMBL28282783 0.80 LOX (0.45) TLR9TLR7TLR8LOXLOXL2
SCHEMBL12975662 0.80 TLR9 (0.57) TLR9TLR7TLR8HTR1A
SCHEMBL28282770 0.80 LOX (0.45) TLR9TLR7TLR8LOXLOXL2
Hydrochloric Acid SCHEMBL2883186 0.78 HTR2C (0.56) TLR9TLR7TLR8HTR1A
SCHEMBL20103353 0.78 IDO1 (0.48) ESR1ESR2CYP3A4CYP2C9CSNK2A2
SCHEMBL24461538 0.78 ESR2 (0.47) ESR1ESR2CYP3A4CYP2C9CYP2D6
SCHEMBL29210003 0.76 TLR9 (0.46) TLR9TLR7TLR8LOXLOXL2

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.