SCHEMBL7601596

SCHEMBL7601596

CCCCN1C(=O)C(C)(C)Oc2cc(CC)c(C)cc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.44
SCN9A Q15858 6/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
RECQL P46063 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ACHE P22303 1/20 0.37
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
RXRA P19793 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL7603159 0.92 REN (0.41) RENSCN9AALDH1A1MAPTRECQL
SCHEMBL7603142 0.92 REN (0.44) RENSCN9AALDH1A1MAPTRECQL
SCHEMBL7606437 0.88 REN (0.44) RENSCN9AALDH1A1MAPTRECQL
SCHEMBL5984245 0.88 REN (0.57) RENALDH1A1MAPTRECQLUSP2
SCHEMBL7602298 0.86 REN (0.41) RENSCN9AALDH1A1MAPTRECQL
SCHEMBL7606431 0.83 ALDH1A1 (0.42) RENSCN9AALDH1A1MAPTRECQL
SCHEMBL7604334 0.82 REN (0.41) RENSCN9AALDH1A1MAPTRECQL
SCHEMBL7606307 0.79 REN (0.39) RENSCN9AALDH1A1MAPTRECQL
SCHEMBL12352932 0.77 ALDH1A1 (0.44) RENALDH1A1MAPTRECQLMEN1
SCHEMBL5985373 0.77 REN (0.57) RENALDH1A1MAPTRECQLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 REN 1/4885SCN9A 1426/4885ALDH1A1 288/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 REN 1/4885SCN9A 867/4885ALDH1A1 484/4885

“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.