SCHEMBL17433720

SCHEMBL17433720

O=C(O)[C@H]1Cc2ccc(O)cc2CN1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 7/20 0.57
OPRM1 P35372 6/20 0.57
OPRK1 P41145 5/20 0.57
MMP8 P22894 4/20 0.44
MMP3 P08254 2/20 0.44
AGTR2 P50052 1/20 0.43
ACE P12821 2/20 0.43

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
SCHEMBL20522865 1.00 OPRD1 (0.57) OPRD1OPRM1OPRK1MMP8MMP3
SCHEMBL20522864 1.00 OPRD1 (0.57) OPRD1OPRM1OPRK1MMP8MMP3
SCHEMBL3998836 0.94 OPRM1 (0.51) OPRD1OPRM1OPRK1AGTR2ACE
SCHEMBL16066324 0.84 PTPN1 (0.50) OPRD1OPRM1OPRK1MMP8MMP3
SCHEMBL23361203 0.83 POLB (0.50) OPRD1OPRM1OPRK1AGTR2ACE
SCHEMBL20720152 0.83 OPRD1 (0.47) OPRD1OPRM1OPRK1AGTR2ACE
SCHEMBL9849102 0.83 POLB (0.50) OPRD1OPRM1OPRK1AGTR2ACE
SCHEMBL17433744 0.83 ALDH1A1 (0.47) OPRD1OPRM1OPRK1AGTR2ACE
SCHEMBL7156807 0.83 OPRD1 (0.47) OPRD1OPRM1OPRK1AGTR2ACE
SCHEMBL30254985 0.82 PTPN1 (0.54) OPRD1OPRM1OPRK1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN disclosed
EP-3704113-B1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-10-11 EP disclosed
CN-110461829-B Substituted isoquinoline derivatives as immunomodulators 百时美施贵宝公司 2023-02-28 CN disclosed
US-11332468-B2 Azaindole derivatives as Rho-kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2022-05-17 US disclosed
EP-3728248-B1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARM SPA (IT) 2022-02-02 EP disclosed
US-20200392133-A1 AZAINDOLE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2020-12-17 US disclosed
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 US disclosed
US-20190127358-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2019-05-02 US disclosed
EP-2975023-B1 GUANIDINOBENZOIC ACID ESTER COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-05-30 EP disclosed
US-9969709-B2 Guanidinobenzoic acid ester compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-15 US disclosed
US-20160031847-A1 GUANIDINOBENZOIC ACID ESTER COMPOUND ASTELLAS PHARMA INC. (JP) 2016-02-04 US disclosed
EP-2975023-A1 GUANIDINOBENZOIC ACID ESTER COMPOUND Astellas Pharma Inc. (JP) 2016-01-20 EP 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 (5 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-11332468-B2 Azaindole derivatives as Rho-kinase inhibitors ROCK1, ROCK2, RHOA OPRD1 3335/4885OPRM1 3726/4885OPRK1 2266/4885
US-20160031847-A1 GUANIDINOBENZOIC ACID ESTER COMPOUND SERPINB1, REN, SPINT2 OPRD1 3665/4885OPRM1 4280/4885OPRK1 2846/4885
US-20190127358-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS NR1H4, FXR1, NR1H2 OPRD1 402/4885OPRM1 317/4885OPRK1 391/4885
US-20200392133-A1 AZAINDOLE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, RHOA OPRD1 3335/4885OPRM1 3726/4885OPRK1 2266/4885
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators NR1H4, FXR1, NR1H2 OPRD1 402/4885OPRM1 317/4885OPRK1 391/4885

“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.