SCHEMBL2240295

SCHEMBL2240295

CCC1(C)Oc2ccc(C(=O)OC)cc2N(CCCOC)C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.56
CYP2C9 P11712 5/20 0.56
CYP2D6 P10635 4/20 0.56
ALDH1A1 P00352 3/20 0.45
MAPT P10636 1/20 0.45
RECQL P46063 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP3A4 P08684 3/20 0.44
USP2 O75604 2/20 0.42
ALOX15 P16050 1/20 0.42
POLB P06746 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL12352873 0.97 REN (0.53) RENCYP2C9CYP2D6ALDH1A1MAPT
SCHEMBL2241026 0.88 ALDH1A1 (0.54) RENCYP2C9ALDH1A1MAPTRECQL
SCHEMBL2243808 0.85 ALDH1A1 (0.53) RENCYP2C9ALDH1A1MAPTRECQL
SCHEMBL8004101 0.84 REN (0.41) RENCYP2C9CYP2D6ALDH1A1MAPT
SCHEMBL13433998 0.84 REN (0.60) RENCYP2C9CYP2D6ALDH1A1MAPT
SCHEMBL2241757 0.84 REN (0.60) RENCYP2C9CYP2D6ALDH1A1MAPT
SCHEMBL2245572 0.83 REN (0.41) RENCYP2C9CYP2D6ALDH1A1MAPT
SCHEMBL2241849 0.81 ALDH1A1 (0.57) RENCYP2C9ALDH1A1MAPTRECQL
SCHEMBL12361722 0.80 REN (0.56) RENCYP2C9CYP2D6ALDH1A1MAPT
SCHEMBL2237924 0.78 REN (0.54) RENCYP2C9ALDH1A1MAPTRECQL

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-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-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 REN 1/4885CYP2C9 141/4885CYP2D6 84/4885

“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.