SCHEMBL7606307

SCHEMBL7606307

CCCCCN1C(=O)C(C)(C)Oc2cc(C(F)(F)F)c(C)cc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.39
RXRA P19793 2/20 0.37
SCN9A Q15858 10/20 0.37
AR P10275 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
LRRK2 Q5S007 1/20 0.33

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
SCHEMBL7603178 0.89 REN (0.37) RENSCN9ANR1H2NR1H3
SCHEMBL7639116 0.88 REN (0.47) RENRXRAARALDH1A1MAPT
SCHEMBL7606437 0.88 REN (0.44) RENRXRASCN9AALDH1A1MAPT
SCHEMBL12354177 0.84 RXRA (0.37) RENRXRASCN9AARALDH1A1
SCHEMBL7603142 0.84 REN (0.44) RENRXRASCN9AALDH1A1MAPT
SCHEMBL7604334 0.82 REN (0.41) RENSCN9AALDH1A1MAPTRECQL
SCHEMBL7601619 0.81 SCN9A (0.33) RENSCN9AARNR1H2NR1H3
SCHEMBL7606450 0.81 REN (0.44) RENRXRAALDH1A1MAPTRECQL
SCHEMBL7601596 0.79 REN (0.44) RENRXRASCN9AALDH1A1MAPT
SCHEMBL7602315 0.78 REN (0.53) RENRXRAALDH1A1MAPTRECQL

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 1/4885RXRA 1477/4885SCN9A 1426/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 REN 1/4885RXRA 3258/4885SCN9A 867/4885

“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.