SCHEMBL7606455

SCHEMBL7606455

COC(=O)NCCN1C(=O)C2(CCC2)Oc2cc(C)c(C)cc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.45
CYP3A4 P08684 2/20 0.38
NR3C2 P08235 1/20 0.33
THRB P10828 1/20 0.33
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.31
POLB P06746 2/20 0.31
GAA P10253 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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
SCHEMBL7602330 0.87 REN (0.44) RENCYP3A4NR3C2TP53SMN1; SMN2
SCHEMBL7602340 0.85 REN (0.41) RENNR3C2THRB
SCHEMBL5985312 0.84 REN (0.59) RENCYP3A4SMN1; SMN2ALDH1A1POLB
SCHEMBL7601630 0.82 REN (0.47) RENCYP3A4TP53SMN1; SMN2TSHR
SCHEMBL7606309 0.81 REN (0.50) RENCYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL7793939 0.80 REN (0.47) RENCYP3A4TP53SMN1; SMN2TSHR
SCHEMBL2243016 0.79 REN (0.36) RENTHRBTP53TSHRALDH1A1
SCHEMBL7641182 0.78 NR3C2 (0.35) RENNR3C2
SCHEMBL2243242 0.78 REN (0.40) RENCYP3A4
SCHEMBL13088938 0.77 REN (0.44) RENCYP3A4SMN1; SMN2ALDH1A1GAA

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-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 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

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-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 REN 1/4885CYP3A4 408/4885NR3C2 22/4885

“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.