SCHEMBL2241852

SCHEMBL2241852

COCCCCN1C(=O)C2(CCOCC2)Oc2cc(C)c(C(=O)N(C(C)C)[C@@H]3CCCN(C(=O)O)C3)cc21

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.32
ALDH1A1 P00352 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
SCHEMBL2239577 0.93 REN (0.32) REN
SCHEMBL2242671 0.93 REN (0.31) REN
SCHEMBL2241340 0.93 REN (0.31) REN
SCHEMBL12353552 0.90 REN (0.33) RENALDH1A1
SCHEMBL2243676 0.90 ALDH1A1 (0.37) RENALDH1A1
SCHEMBL2249042 0.90 KMT2A (0.38) RENALDH1A1
SCHEMBL2242967 0.89 REN (0.33) REN
SCHEMBL2244498 0.88 REN (0.33) REN
SCHEMBL2239749 0.88 REN (0.32) REN
SCHEMBL2241994 0.88 REN (0.32) REN

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 REN 1/4885ALDH1A1 288/4885

“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.