SCHEMBL21485598

SCHEMBL21485598

COc1cccc(-c2ccc(Cn3ncc4c(Cl)ccc(C(=O)NC5CC6(CC(CC(=O)O)C6)C5)c43)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.37
CNR2 P34972 5/20 0.34
CNR1 P21554 2/20 0.34
OPRM1 P35372 2/20 0.33
OPRL1 P41146 2/20 0.33
ROCK2 O75116 3/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
FFAR4 Q5NUL3 3/20 0.32
PTGER4 P35408 1/20 0.32
DRD4 P21917 1/20 0.32
WDR5 P61964 1/20 0.32
KLK7 P49862 1/20 0.32

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
SCHEMBL21458273 1.00 NTRK1 (0.37) NTRK1CNR2CNR1OPRM1OPRL1
SCHEMBL21485595 0.91 NTRK1 (0.39) NTRK1CNR2CNR1FFAR4DRD4
SCHEMBL30843277 0.87 CNR2 (0.33) CNR2CNR1ROCK2PTGER4
SCHEMBL21481972 0.87 CNR2 (0.33) CNR2CNR1ROCK2PTGER4
SCHEMBL21458303 0.87 CNR2 (0.33) CNR2CNR1ROCK2PTGER4
SCHEMBL21458121 0.86 PTGER4 (0.39) CNR2CNR1ROCK2PTGER4DRD4
SCHEMBL31203526 0.86 PTGER4 (0.39) CNR2CNR1ROCK2PTGER4DRD4
SCHEMBL21458190 0.84 PTGER4 (0.40) NTRK1CNR2CNR1ROCK2ITGB1
SCHEMBL31203230 0.83 CNR2 (0.38) CNR2CNR1
SCHEMBL21506726 0.83 CNR2 (0.36) CNR2CNR1ROCK2PTGER4DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795156-B2 Bicyclic carboxamides and methods of use thereof TEMPEST THERAPEUTICS, INC. (US) 2023-10-24 US disclosed
US-20230045612-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF TEMPEST THERAPEUTICS, INC. 2023-02-09 US disclosed
US-10968201-B2 Bicyclic carboxamides and methods of use thereof TEMPEST THERAPEUTICS, INC. (US) 2021-04-06 US disclosed
US-20210024491-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF TEMPEST THERAPEUTICS, INC. 2021-01-28 US disclosed
WO-2019204523-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF TEMPEST THERAPEUTICS, INC. (US) 2019-10-24 WO disclosed
US-20190315712-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF TEMPEST THERAPEUTICS, INC. 2019-10-17 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 (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-11795156-B2 Bicyclic carboxamides and methods of use thereof PTGER4, PTGER2, CNR2 NTRK1 1600/4885CNR2 3/4885CNR1 6/4885
US-10968201-B2 Bicyclic carboxamides and methods of use thereof PTGER4, PTGER2, CNR2 NTRK1 1600/4885CNR2 3/4885CNR1 6/4885
US-20230045612-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF PTGER4, PTGER2, CNR2 NTRK1 1600/4885CNR2 3/4885CNR1 6/4885
US-20210024491-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF PTGER4, PTGER2, CNR2 NTRK1 1600/4885CNR2 3/4885CNR1 6/4885
US-20190315712-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF PTGER4, PTGER2, CNR2 NTRK1 1600/4885CNR2 3/4885CNR1 6/4885

“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.