SCHEMBL7601606

SCHEMBL7601606

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 5/20 0.37
TP53 P04637 4/20 0.37
CNR1 P21554 3/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 2/20 0.34
HTT P42858 1/20 0.34
SCN9A Q15858 4/20 0.34
THRB P10828 1/20 0.34
RAB9A P51151 1/20 0.32

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
SCHEMBL5984677 0.89 REN (0.52) RENCYP2D6CYP2C9MEN1KMT2A
SCHEMBL7606441 0.85 REN (0.39) RENCYP2D6CYP2C9MEN1KMT2A
SCHEMBL7601610 0.82 REN (0.38) RENCYP2D6CYP2C9MEN1KMT2A
SCHEMBL7603178 0.79 REN (0.37) RENCYP2D6CYP2C9TDP1SCN9A
SCHEMBL7603140 0.79 REN (0.37) RENCYP2D6CYP2C9MAPTALDH1A1
SCHEMBL12361722 0.79 REN (0.56) RENCYP2D6CYP2C9MAPTALDH1A1
SCHEMBL7603142 0.78 REN (0.44) RENCYP2C9MEN1KMT2AMAPT
SCHEMBL5985387 0.74 REN (0.52) RENCYP2D6CYP2C9MEN1KMT2A
SCHEMBL7638870 0.74 REN (0.52) RENCYP2D6CYP2C9ALDH1A1TSHR
SCHEMBL7606437 0.74 REN (0.44) RENMAPTALDH1A1SCN9A

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 1/4885CYP2D6 84/4885CYP2C9 141/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 REN 1/4885CYP2D6 218/4885CYP2C9 270/4885

“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.