SCHEMBL2248390

SCHEMBL2248390

COCCCCN1C(=O)C(C)(COC(=O)N2CCCC2)Oc2cc(C)c(C(=O)N(C(C)C)[C@@H]3CCCN(C(=O)O)C3)cc21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
REN P00797 3/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
HPGD P15428 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL2239749 0.95 REN (0.32) POLBKMT2ARENCYP2D6CYP2C9
SCHEMBL2241831 0.93 REN (0.35) RENCYP2D6CYP2C9
SCHEMBL2241994 0.93 REN (0.32) POLBKMT2ARENCYP2D6CYP2C9
SCHEMBL12353575 0.93 KMT2A (0.35) POLBKMT2ARENUSP2ALOX15
SCHEMBL2239936 0.92 REN (0.33) REN
SCHEMBL2249042 0.92 KMT2A (0.38) POLBKMT2ARENUSP2ALOX15
SCHEMBL2241891 0.90 REN (0.39) POLBKMT2ARENUSP2ALOX15
SCHEMBL2242941 0.89 REN (0.30) REN
SCHEMBL2241992 0.88 REN (0.32) RENCYP2D6CYP2C9
SCHEMBL2247698 0.87 REN (0.33) RENCYP2D6CYP2C9

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-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 EP 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 POLB 805/4885KMT2A 1812/4885REN 1/4885

“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.