Sugi Predict

Sugi Predict / Compounds / SCHEMBL21481946

SCHEMBL21481946

SCHEMBL21481946

COc1ccc2cc(-c3ccc(Cn4ncc5cc(Cl)cc(C(=O)NC6CC7(CC(CC(=O)O)C7)C6)c54)cc3)ccc2n1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 6/20 0.34
▸ GCGR P47871 2/20 0.33
▸ CNR2 P34972 4/20 0.33
▸ P2RX3 P56373 2/20 0.33
▸ KLKB1 P03952 2/20 0.33
▸ HPGDS O60760 1/20 0.32
▸ CNR1 P21554 2/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ MTNR1A P48039 1/20 0.31
▸ MTNR1B P49286 1/20 0.31
▸ ENPP2 Q13822 1/20 0.31
▸ ATXN2 Q99700 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
SCHEMBL21458168 1.00 ROCK2 (0.34) ROCK2GCGRCNR2P2RX3KLKB1
SCHEMBL21481940 0.91 CRHR1 (0.37) GCGRCNR2HPGDSCNR1MCHR1
SCHEMBL22927027 0.88 CNR2 (0.35) ROCK2CNR2P2RX3HPGDSCNR1
SCHEMBL30843277 0.88 CNR2 (0.33) ROCK2CNR2P2RX3HPGDSCNR1
SCHEMBL21458303 0.88 CNR2 (0.33) ROCK2CNR2P2RX3HPGDSCNR1
SCHEMBL21481972 0.88 CNR2 (0.33) ROCK2CNR2P2RX3HPGDSCNR1
SCHEMBL21458211 0.86 CRHR1 (0.37) CNR2CNR1
SCHEMBL31203506 0.86 CRHR1 (0.37) CNR2CNR1
SCHEMBL24784548 0.82 MCHR1 (0.39) ROCK2GCGRCNR2HPGDSCNR1
SCHEMBL30103049 0.82 MCHR1 (0.39) ROCK2GCGRCNR2HPGDSCNR1

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 5 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
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 ROCK2 1715/4885GCGR 443/4885CNR2 3/4885
US-10968201-B2 Bicyclic carboxamides and methods of use thereof PTGER4, PTGER2, CNR2 ROCK2 1715/4885GCGR 443/4885CNR2 3/4885
US-20230045612-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF PTGER4, PTGER2, CNR2 ROCK2 1715/4885GCGR 443/4885CNR2 3/4885
US-20210024491-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF PTGER4, PTGER2, CNR2 ROCK2 1715/4885GCGR 443/4885CNR2 3/4885
US-20190315712-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF PTGER4, PTGER2, CNR2 ROCK2 1715/4885GCGR 443/4885CNR2 3/4885

“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.