SCHEMBL5987076

SCHEMBL5987076

COCCCCN1C(=O)C(C)Oc2cc(C)c(C)cc21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.49
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP3A4 P08684 3/20 0.42
CYP2C19 P33261 3/20 0.42
ALDH1A1 P00352 4/20 0.40
PPARG P37231 2/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP1A2 P05177 1/20 0.36

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
SCHEMBL7636421 0.96 REN (0.53) RENTSHRNPSR1CYP3A4CYP2C19
SCHEMBL5987063 0.92 REN (0.46) RENTSHRNPSR1CYP3A4CYP2C19
SCHEMBL5985698 0.92 REN (0.46) RENTSHRNPSR1CYP3A4CYP2C19
SCHEMBL5985048 0.88 REN (0.48) RENTSHRNPSR1CYP3A4CYP2C19
SCHEMBL5986192 0.88 REN (0.48) RENTSHRNPSR1CYP3A4CYP2C19
SCHEMBL7634836 0.88 REN (0.48) RENTSHRNPSR1CYP3A4CYP2C19
SCHEMBL14747749 0.86 REN (0.47) RENTSHRNPSR1CYP3A4CYP2C19
SCHEMBL7606295 0.85 TSHR (0.46) RENTSHRNPSR1CYP3A4CYP2C19
SCHEMBL7602306 0.83 TSHR (0.47) RENTSHRNPSR1CYP3A4CYP2C19
SCHEMBL13434135 0.82 TSHR (0.59) RENTSHRNPSR1CYP3A4CYP2C19

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 5 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
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 1/4885TSHR 772/4885NPSR1 536/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 REN 1/4885TSHR 1316/4885NPSR1 378/4885

“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.