SCHEMBL5984645

SCHEMBL5984645

COC(=O)NCCN1C(=O)C(C)(C)Oc2cc(Br)c(C)cc21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.55
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 5/20 0.38
POLB P06746 3/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 2/20 0.37
RECQL P46063 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL5985312 0.92 REN (0.59) RENCYP3A4ALDH1A1POLBGAA
SCHEMBL5985395 0.87 REN (0.55) RENCYP3A4ALDH1A1POLBGAA
SCHEMBL7602315 0.84 REN (0.53) RENCYP3A4ALDH1A1POLBGAA
SCHEMBL13434191 0.82 REN (0.61) RENCYP3A4ALDH1A1POLBGAA
SCHEMBL7606309 0.80 REN (0.50) RENCYP3A4ALDH1A1MAPTRECQL
SCHEMBL27822500 0.80 REN (0.56) RENCYP3A4ALDH1A1POLBGAA
SCHEMBL7793939 0.79 REN (0.47) RENCYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL2243320 0.79 REN (0.49) RENCYP3A4ALDH1A1POLBGAA
SCHEMBL12353252 0.79 REN (0.49) RENCYP3A4ALDH1A1POLBGAA
SCHEMBL2242530 0.79 REN (0.54) RENCYP3A4ALDH1A1POLBGAA

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 7 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-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-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
EP-2447264-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-05-02 EP 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 1/4885CYP3A4 168/4885ALDH1A1 288/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 REN 1/4885CYP3A4 408/4885ALDH1A1 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.