SCHEMBL19215538

SCHEMBL19215538

CC(S)CCN1CCCC(C(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ROCK2 O75116 2/20 0.31
ROCK1 Q13464 2/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL10052291 0.85 ROCK2 (0.40) DRD2DRD1DRD4DRD5DRD3
SCHEMBL14519147 0.81 DRD2 (0.47) DRD2DRD1DRD4DRD5DRD3
SCHEMBL14519148 0.80 ALDH1A1 (0.39) DRD2DRD1DRD4DRD5DRD3
SCHEMBL20688091 0.80 KDM2B (0.35) DRD2DRD1DRD4DRD5DRD3
SCHEMBL20696928 0.80 KDM2B (0.35) DRD2DRD1DRD4DRD5DRD3
SCHEMBL14652141 0.80 ALDH1A1 (0.39) DRD2DRD1DRD4DRD5DRD3
SCHEMBL12275387 0.80 DRD2 (0.33) DRD2DRD1DRD4DRD5DRD3
SCHEMBL23710775 0.79 BCHE (0.45)
SCHEMBL18888498 0.78 DRD2 (0.33) DRD2DRD1DRD4DRD5DRD3
SCHEMBL20756924 0.77 KAT2B (0.41) KDM4EALDH1A1

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-10035819-B2 PPAR agonists and methods of use thereof THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2018-07-31 US disclosed
US-20170226154-A1 PPAR AGONISTS AND METHODS OF USE THEREOF THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2017-08-10 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-20170226154-A1 PPAR AGONISTS AND METHODS OF USE THEREOF PPARD, PPARG, PPARA DRD2 1146/4885DRD1 736/4885DRD4 1633/4885
US-10035819-B2 PPAR agonists and methods of use thereof PPARD, PPARG, PPARA DRD2 589/4885DRD1 304/4885DRD4 865/4885

“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.