SCHEMBL21778413

SCHEMBL21778413

CO[C@@H]1CCN(c2ccc(O[C@@H]3CCN(c4ccccc4C(C)(C)C)C3)cc2C(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 4/20 0.40
ACACB O00763 11/20 0.40
PDE3B Q13370 3/20 0.39
PDE3A Q14432 3/20 0.39
PDE10A Q9Y233 3/20 0.39
LIPC P11150 1/20 0.39
LPL P06858 1/20 0.37
RBP4 P02753 1/20 0.36

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
SCHEMBL19937830 0.88 RBP4 (0.44) RBP4
SCHEMBL19937832 0.88 RBP4 (0.44) RBP4
SCHEMBL19937836 0.70 RBP4 (0.48) RBP4
SCHEMBL21668750 0.70 NOTUM (0.54) PDE10A
SCHEMBL7949976 0.69 CARM1 (0.37)
SCHEMBL19937839 0.69 RBP4 (0.50) RBP4
SCHEMBL19937835 0.69 RBP4 (0.47) RBP4
SCHEMBL19937833 0.69 RBP4 (0.47) RBP4
SCHEMBL19937840 0.69 RBP4 (0.50) RBP4
SCHEMBL21654087 0.68 LIPG (0.42) LIPGACACBPDE3BPDE3APDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577374-B2 Bruton's tyrosine kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2020-03-03 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 (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-10577374-B2 Bruton's tyrosine kinase inhibitors BTK, ABL1, SYK LIPG 1725/4885ACACB 2215/4885PDE3B 1133/4885

“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.