SCHEMBL21688292

SCHEMBL21688292

N#CC[C@H](c1cccc(O)c1)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.44
▸ ESR2 Q92731 2/20 0.44
▸ SLC6A3 Q01959 2/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ HIF1A Q16665 3/20 0.37
▸ ADRB1 P08588 2/20 0.37
▸ ADRA1A P35348 2/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ DRD1 P21728 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ ADRA1B P35368 1/20 0.37

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
SCHEMBL24646053 0.83 SLC6A3 (0.44) ESR1ESR2SLC6A3SLC6A4OPRM1
SCHEMBL14452294 0.79 ADRB1 (0.42) ESR1ESR2SLC6A3SLC6A4OPRM1
SCHEMBL18511473 0.79 ESR1 (0.46) ESR1ESR2SLC6A3SLC6A4OPRM1
SCHEMBL9413695 0.76 NPC1 (0.37) SLC6A3RAB9ALMNAKDM4EGAA
SCHEMBL21688313 0.76 SGMS2 (0.53) TSHRLMNAFFAR1
SCHEMBL21670728 0.75 FFAR1 (0.41) SLC6A3SLC6A4OPRM1KDRHIF1A
SCHEMBL3657592 0.75 FFAR1 (0.59) OPRD1OPRK1FFAR1KYNUALDH1A1
SCHEMBL29377064 0.75 FFAR1 (0.59) OPRD1OPRK1FFAR1KYNUALDH1A1
SCHEMBL3659348 0.75 FFAR1 (0.59) OPRD1OPRK1FFAR1KYNUALDH1A1
SCHEMBL29374616 0.75 FFAR1 (0.59) OPRD1OPRK1FFAR1KYNUALDH1A1

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 ESR1 243/4885ESR2 97/4885SLC6A3 4181/4885
US-10988433-B2 Cyclohexyl GPR40 agonists for the treatment of type II diabetes GPR119, GPR65, GPR55 ESR1 243/4885ESR2 97/4885SLC6A3 4181/4885

“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.

Send feedback