SCHEMBL22894576

SCHEMBL22894576

CC1(NC(=O)c2cccc3ccn(Cc4ccc(C(F)(F)F)cc4)c23)CC1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.69
PTGDR Q13258 7/20 0.69
TBXA2R P21731 1/20 0.69
PTGER1 P34995 1/20 0.69
PTGFR P43088 1/20 0.69
PTGER3 P43115 1/20 0.69
PTGER2 P43116 1/20 0.69
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 4/20 0.43
DRD4 P21917 1/20 0.43
KCNQ3 O43525 2/20 0.41
KCNQ2 O43526 2/20 0.41
KCNQ4 P56696 2/20 0.41
KCNQ5 Q9NR82 2/20 0.41
HDAC11 Q96DB2 2/20 0.40
HTT P42858 1/20 0.39
FABP4 P15090 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
SCHEMBL26254096 0.87 PTGER4 (0.59) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL20541681 0.86 PTGER4 (0.61) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL26254084 0.84 PTGER4 (0.63) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL20541638 0.84 PTGER4 (0.56) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL20542005 0.84 PTGER4 (0.67) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL26254101 0.84 PTGER4 (0.62) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL23879095 0.84 PTGER4 (0.67) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL29403055 0.84 PTGER4 (0.67) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL20542163 0.84 PTGER4 (0.62) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL31070930 0.83 PTGER4 (0.61) PTGER4PTGDRTBXA2RPTGER1PTGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11738009-B2 Bicyclic compounds and their use in the treatment of cancer TEMPEST THERAPEUTICS, INC. (US) 2023-08-29 US disclosed
US-20210008046-A1 BICYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER TEMPEST THERAPEUTICS, INC. 2021-01-14 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-20210008046-A1 BICYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER PTGER4, PTGER1, PTGER3 PTGER4 1/4885PTGDR 5/4885TBXA2R 73/4885
US-11738009-B2 Bicyclic compounds and their use in the treatment of cancer PTGER4, PTGER1, PTGER3 PTGER4 1/4885PTGDR 5/4885TBXA2R 73/4885

“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.