SCHEMBL20103353

SCHEMBL20103353

COc1ccnc(C2CCC(CO)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.48
ESR1 P03372 6/20 0.38
ESR2 Q92731 6/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
LRRK2 Q5S007 2/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CYP2D6 P10635 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
HCRTR1 O43613 5/20 0.34
HCRTR2 O43614 5/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL29205649 0.87 IDO1 (0.50) IDO1MTNR1AMTNR1BHCRTR1HCRTR2
SCHEMBL28020381 0.81 IDO1 (0.46) IDO1MTNR1AMTNR1B
SCHEMBL20103404 0.78 ESR1 (0.46) ESR1ESR2CYP3A4CYP2C9CSNK2A2
SCHEMBL25274140 0.77 IDO1 (0.43) IDO1LRRK2
SCHEMBL31339156 0.77 IDO1 (0.43) IDO1LRRK2
SCHEMBL31266329 0.76 IDO1 (0.45) IDO1ESR2MTNR1AMTNR1BHCRTR1
SCHEMBL14788209 0.74 MAPK8 (0.46) HCRTR1HCRTR2
SCHEMBL26627786 0.73 ESR1 (0.46) ESR1ESR2CYP3A4CYP2C9CYP2D6
SCHEMBL2636703 0.72 IDO1 (0.39) IDO1
SCHEMBL28020350 0.70 PDE2A (0.51) LRRK2MTNR1AMTNR1BHCRTR1HCRTR2

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 IDO1 3928/4885ESR1 243/4885ESR2 97/4885
US-10988433-B2 Cyclohexyl GPR40 agonists for the treatment of type II diabetes GPR119, GPR65, GPR55 IDO1 3928/4885ESR1 243/4885ESR2 97/4885

“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.