SCHEMBL21644893

SCHEMBL21644893

CCOc1cc(C2CCC(CO)CC2)c(F)cn1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.35
CNR2 P34972 8/20 0.34
ACACB O00763 2/20 0.33
ESR1 P03372 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ESR2 Q92731 1/20 0.33
CAMKK1 Q8N5S9 1/20 0.32
CAMKK2 Q96RR4 1/20 0.32
FFAR4 Q5NUL3 2/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL20103360 1.00 FFAR1 (0.35) FFAR1CNR2ACACBESR1CYP3A4
SCHEMBL20103378 0.89 CNR2 (0.34) FFAR1CNR2ACACBCAMKK1CAMKK2
SCHEMBL21644913 0.88 FFAR1 (0.43) FFAR1ESR1CYP3A4CYP2C9ESR2
SCHEMBL20103176 0.88 FFAR1 (0.43) FFAR1ESR1CYP3A4CYP2C9ESR2
SCHEMBL20103177 0.88 FFAR1 (0.43) FFAR1ESR1CYP3A4CYP2C9ESR2
SCHEMBL20103352 0.79 ESR1 (0.40) CNR2ESR1CYP3A4CYP2C9ESR2
SCHEMBL20103354 0.79 ESR1 (0.40) CNR2ESR1CYP3A4CYP2C9ESR2
SCHEMBL20103537 0.73 LNPEP (0.32) FFAR4
SCHEMBL21688291 0.71 FFAR1 (0.54) FFAR1CYP3A4
SCHEMBL21644839 0.71 FFAR1 (0.54) FFAR1CYP3A4

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 2 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

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 FFAR1 16/4885CNR2 44/4885ACACB 550/4885
US-10988433-B2 Cyclohexyl GPR40 agonists for the treatment of type II diabetes GPR119, GPR65, GPR55 FFAR1 16/4885CNR2 44/4885ACACB 550/4885

“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.