SCHEMBL21157448

SCHEMBL21157448

c1ccc(-c2c3c(nn2-c2ccccc2)CCCCCCC3)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.68
HTR2C P28335 3/20 0.68
HTR2B P41595 3/20 0.68
PTGS2 P35354 6/20 0.55
PTGS1 P23219 5/20 0.55
ALDH1A1 P00352 1/20 0.50
MAPK10 P53779 1/20 0.50
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
SRC P12931 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL28699512 1.00 HTR2A (0.68) HTR2AHTR2CHTR2BPTGS2PTGS1
SCHEMBL8132350 0.88 PTGS2 (0.59) HTR2AHTR2CHTR2BPTGS2PTGS1
SCHEMBL28691202 0.85 PTGS2 (0.59) HTR2AHTR2CHTR2BPTGS2PTGS1
SCHEMBL1475300 0.81 HTR2A (1.00) HTR2AHTR2CHTR2BALDH1A1MAPK10
SCHEMBL28705568 0.80 PDE4A (0.49) HTR2AHTR2CHTR2BPTGS2PTGS1
SCHEMBL1476138 0.80 HTR2A (0.63) HTR2AHTR2CHTR2BPTGS2PTGS1
SCHEMBL22245041 0.79 HTR2A (0.48) HTR2AHTR2CHTR2BPTGS2PTGS1
SCHEMBL21863402 0.79 POLB (0.46) HTR2AHTR2CHTR2BPTGS2PTGS1
SCHEMBL28699510 0.79 PDE4A (0.50) HTR2AHTR2CHTR2BPTGS2PTGS1
SCHEMBL29374174 0.79 PDE4A (0.61) HTR2AHTR2CHTR2BPTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11583516-B2 Dash inhibitors, and uses related thereto TRUSTEES OF TUFTS COLLEGE (US) 2023-02-21 US disclosed
US-11559537-B2 Combination therapies using caspase-1 dependent anticancer agents and PGE2 antagonists TRUSTEES OF TUFTS COLLEGE (US) 2023-01-24 US disclosed
US-20200054655-A1 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS TRUSTEES OF TUFTS COLLEGE 2020-02-20 US disclosed
US-20190209525-A1 DASH INHIBITORS, AND USES RELATED THERETO TRUSTEES OF TUFTS COLLEGE 2019-07-11 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 (4 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-11583516-B2 Dash inhibitors, and uses related thereto PCNA, CD2BP2, CCNO HTR2A 4463/4885HTR2C 4411/4885HTR2B 3985/4885
US-11559537-B2 Combination therapies using caspase-1 dependent anticancer agents and PGE2 antagonists CASP1, CASP2, APAF1 HTR2A 1367/4885HTR2C 2317/4885HTR2B 1686/4885
US-20200054655-A1 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS CASP1, CASP2, APAF1 HTR2A 1367/4885HTR2C 2317/4885HTR2B 1686/4885
US-20190209525-A1 DASH INHIBITORS, AND USES RELATED THERETO CD2BP2, PCNA, CD2 HTR2A 4423/4885HTR2C 4390/4885HTR2B 3883/4885

“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.