SCHEMBL21485554

SCHEMBL21485554

O=C(NC1CC2(C1)CC(C(=O)O)C2)c1ccc(Cl)c2ccn(Cc3ccc(Br)cc3)c12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.41
▸ DRD4 P21917 1/20 0.38
▸ CNR2 P34972 10/20 0.35
▸ CNR1 P21554 8/20 0.35
▸ AKR1B1 P15121 1/20 0.33
▸ SLC6A12 P48065 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ MAOB P27338 2/20 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
SCHEMBL21506730 0.91 PTGER4 (0.43) PTGER4DRD4CNR2CNR1AKR1B1
SCHEMBL21458276 0.91 PTGER4 (0.43) PTGER4DRD4CNR2CNR1AKR1B1
SCHEMBL21481845 0.90 PTGER4 (0.44) PTGER4DRD4CNR2CNR1SLC6A12
SCHEMBL21458113 0.90 PTGER4 (0.44) PTGER4DRD4CNR2CNR1SLC6A12
SCHEMBL21458212 0.88 PTGER4 (0.45) PTGER4CNR2CNR1
SCHEMBL21506538 0.88 DRD4 (0.43) DRD4CNR2CNR1SLC6A12SIGMAR1
SCHEMBL21458268 0.88 PTGER4 (0.42) PTGER4CNR2CNR1SLC6A12EGLN1
SCHEMBL21458116 0.86 ROCK2 (0.40) PTGER4
SCHEMBL21506721 0.84 PTGER4 (0.46) PTGER4DRD4CNR2CNR1SLC6A12
SCHEMBL31731405 0.84 PTGER4 (0.46) PTGER4DRD4CNR2CNR1SLC6A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968201-B2 Bicyclic carboxamides and methods of use thereof TEMPEST THERAPEUTICS, INC. (US) 2021-04-06 — — 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 (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-10968201-B2 Bicyclic carboxamides and methods of use thereof PTGER4, PTGER2, CNR2 PTGER4 1/4885DRD4 1238/4885CNR2 3/4885
US-20190315712-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF PTGER4, PTGER2, CNR2 PTGER4 1/4885DRD4 1238/4885CNR2 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.

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