SCHEMBL20103666

SCHEMBL20103666

OCC1CCC(c2cc(F)ccc2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 10/20 0.43
ESR1 P03372 6/20 0.43
ESR2 Q92731 6/20 0.43
KDM1A O60341 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
KDM1B Q8NB78 1/20 0.43
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
CYP2D6 P10635 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
SCHEMBL28695036 0.86 OPRL1 (0.57) OPRL1ESR1ESR2CYP3A4CYP2C9
SCHEMBL15566855 0.85 KDM1A (0.55) OPRL1KDM1AKDM1BPTGDR2
SCHEMBL20103351 0.85 ESR2 (0.54) OPRL1ESR1ESR2CYP3A4CYP2C9
SCHEMBL20103372 0.81 ESR1 (0.39) OPRL1ESR1ESR2CYP3A4CYP2C9
SCHEMBL21644870 0.81 ESR1 (0.39) OPRL1ESR1ESR2CYP3A4CYP2C9
SCHEMBL29487576 0.80 KDM1A (0.47) OPRL1ESR2KDM1AKDM1BPSEN1
SCHEMBL22321256 0.80 KDM1A (0.47) OPRL1ESR2KDM1AKDM1BPSEN1
SCHEMBL28705118 0.80 ESR1 (0.43) OPRL1ESR1ESR2CYP3A4CYP2C9
SCHEMBL22321255 0.80 KDM1A (0.47) OPRL1ESR2KDM1AKDM1BPSEN1
SCHEMBL20103540 0.80 FFAR1 (0.51) ESR1ESR2CYP3A4CYP2C9PTGDR2

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 OPRL1 103/4885ESR1 243/4885ESR2 97/4885
US-10988433-B2 Cyclohexyl GPR40 agonists for the treatment of type II diabetes GPR119, GPR65, GPR55 OPRL1 103/4885ESR1 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.