SCHEMBL24036728

SCHEMBL24036728

COC(=O)C[C@H](NC(=O)CN)c1cccc(OC2CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 1/20 0.44
OPRK1 P41145 5/20 0.43
KCNH2 Q12809 4/20 0.43
OPRM1 P35372 2/20 0.43
FFAR1 O14842 5/20 0.40
POLB P06746 2/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ACACB O00763 1/20 0.37

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
SCHEMBL24036726 0.83 ROCK2 (0.39) ROCK2ROCK1FFAR1POLBKMT2A
SCHEMBL24036947 0.82 L3MBTL1 (0.40) ROCK2ROCK1KCNH2KMT2AL3MBTL1
SCHEMBL24037113 0.82 KMT2A (0.44) ROCK2ROCK1OPRK1KCNH2OPRM1
SCHEMBL24036823 0.81 CACNA1B (0.41) ROCK2ROCK1OPRK1KCNH2OPRM1
SCHEMBL25625541 0.81 GPR139 (0.46) ROCK2ROCK1
SCHEMBL24036950 0.80 TACR3 (0.39) ROCK2ROCK1POLBKMT2AL3MBTL1
SCHEMBL24036727 0.80 KCNA5 (0.47) POLBKMT2A
SCHEMBL24036731 0.80 WDR5 (0.50) KMT2A
Hydrochloric Acid SCHEMBL7173937 0.80 GPR139 (0.45) ROCK2ROCK1
SCHEMBL24036978 0.77 ROCK2 (0.37) ROCK2ROCK1OPRK1KCNH2OPRM1

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-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE UBE CORPORATION (JP) 2023-06-22 US disclosed
WO-2023085396-A1 PHARMACEUTICAL COMPOSITION FOR PROVIDING TREATMENT FOR OR PREVENTING ALPORT SYNDROME UBE株式会社 2023-05-19 WO disclosed
WO-2021230325-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE 宇部興産株式会社 2021-11-18 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-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE DHFR, DPYD, CYP2D6 ROCK2 3623/4885ROCK1 3530/4885OPRK1 944/4885

“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.