Sugi Predict

Sugi Predict / Compounds / SCHEMBL21481818

SCHEMBL21481818

SCHEMBL21481818

O=C(NC1CCC(C(=O)O)CC1)c1cccc2cnn(Cc3ccc(OC(F)(F)F)cc3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 3/20 0.43
▸ DRD4 P21917 5/20 0.42
▸ HTR2A P28223 2/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ CRHR1 P34998 1/20 0.41
▸ PRKAB2 O43741 2/20 0.39
▸ PRKAG1 P54619 2/20 0.39
▸ PRKAA2 P54646 2/20 0.39
▸ PRKAA1 Q13131 2/20 0.39
▸ PRKAG3 Q9UGI9 2/20 0.39
▸ PRKAG2 Q9UGJ0 2/20 0.39
▸ PRKAB1 Q9Y478 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ MDM2 Q00987 2/20 0.39
▸ EPHX2 P34913 2/20 0.38
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ BACE1 P56817 1/20 0.38

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
SCHEMBL21481819 0.92 DRD4 (0.44) CCR2DRD4HTR2ADRD2CRHR1
SCHEMBL21458265 0.89 PTGER4 (0.48) CCR2DRD4HTR2ADRD2MDM2
SCHEMBL21481968 0.86 DRD4 (0.45) DRD4DRD2CRHR1
SCHEMBL21506236 0.86 DRD4 (0.52) DRD4CRHR1
SCHEMBL21506224 0.85 CRHR1 (0.40) CCR2CRHR1PRKAB2PRKAG1PRKAA2
SCHEMBL31203175 0.84 CNR2 (0.42) CCR2DRD4HTR2ADRD2MDM2
SCHEMBL21458312 0.83 PTGER4 (0.40) CCR2DRD4HTR2ADRD2PRKAB2
SCHEMBL21481789 0.82 DRD4 (0.46) DRD4DRD2
SCHEMBL24774907 0.81 ABL1 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20542067 0.81 PPARD (0.44) —

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 CCR2 397/4885DRD4 1238/4885HTR2A 40/4885
US-10968201-B2 Bicyclic carboxamides and methods of use thereof PTGER4, PTGER2, CNR2 CCR2 397/4885DRD4 1238/4885HTR2A 40/4885
US-20230045612-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF PTGER4, PTGER2, CNR2 CCR2 397/4885DRD4 1238/4885HTR2A 40/4885
US-20210024491-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF PTGER4, PTGER2, CNR2 CCR2 397/4885DRD4 1238/4885HTR2A 40/4885
US-20190315712-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF PTGER4, PTGER2, CNR2 CCR2 397/4885DRD4 1238/4885HTR2A 40/4885

“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.