SCHEMBL21612401

SCHEMBL21612401

O=C(O)C=C1CCCc2cn[nH]c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.42
DRD2 P14416 3/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
KDR P35968 2/20 0.39
MAPK10 P53779 2/20 0.39
RIPK1 Q13546 2/20 0.39
HSP90AA1 P07900 1/20 0.36
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPK1 P28482 1/20 0.34
CAMK2A Q9UQM7 2/20 0.34
CDK8 P49336 2/20 0.34
AURKA O14965 2/20 0.34
PLK4 O00444 1/20 0.34
CHEK1 O14757 1/20 0.34

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
SCHEMBL21612400 1.00 DRD4 (0.42) DRD4DRD2HTR2AHTR2CHTR2B
SCHEMBL21612478 0.82 DRD4 (0.38) DRD4DRD2HTR2AHTR2CHTR2B
SCHEMBL21612523 0.72 DRD4 (0.46) DRD4DRD2HTR2AHTR2CHTR2B
SCHEMBL21612416 0.70 DRD4 (0.41) DRD4DRD2HTR2AHTR2CHTR2B
SCHEMBL21612418 0.70 DRD4 (0.41) DRD4DRD2HTR2AHTR2CHTR2B
SCHEMBL21614796 0.66 DRD4 (0.50) DRD4DRD2HTR2AHTR2CHTR2B
SCHEMBL8923628 0.65 RXRA (0.60) HSP90AA1MAPTALDH1A1CAMK2ACYP1A2
SCHEMBL8923632 0.65 RXRA (0.60) HSP90AA1MAPTALDH1A1CAMK2ACYP1A2
SCHEMBL12629637 0.65 RXRA (0.60) HSP90AA1MAPTALDH1A1CAMK2ACYP1A2
Oxalic Acid SCHEMBL572020 0.63 KDM4E (0.40) DRD4DRD2HTR2AHTR2CHTR2B

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-20210253562-A1 ACYLSUFONAMIDE COMPOUNDS USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2021-08-19 US disclosed
WO-2020008317-A1 ACYLSUFONAMIDE COMPOUNDS USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2020-01-09 WO 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 (1 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-20210253562-A1 ACYLSUFONAMIDE COMPOUNDS USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, FFAR3, PTGES3 DRD4 2656/4885DRD2 1889/4885HTR2A 759/4885

“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.