SCHEMBL2435968

SCHEMBL2435968

COC(=O)Cc1ccc(OC)cc1NC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 2/20 0.49
HTT P42858 2/20 0.49
HPGD P15428 1/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B1 P14061 1/20 0.48
HSD17B2 P37059 1/20 0.48
MAPT P10636 1/20 0.46
KMT2A Q03164 2/20 0.44
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
F10 P00742 1/20 0.44
EPHX2 P34913 1/20 0.44
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL2442089 0.88 HSD17B10 (0.56) ALDH1A1KDM4EHTTLMNATSHR
SCHEMBL12329332 0.86 HTT (0.52) ALDH1A1KDM4EHTTHPGDLMNA
SCHEMBL12788087 0.83 HPGD (0.47) ALDH1A1HPGDTSHRMAPTKMT2A
SCHEMBL11114816 0.82 HTT (0.49) ALDH1A1KDM4EHTTHPGDLMNA
SCHEMBL5213501 0.82 KDM4E (0.49) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL996522 0.78 CYP1A2 (0.58) ALDH1A1KDM4EHTTHPGDTSHR
SCHEMBL1107586 0.78 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTKMT2AMTNR1A
SCHEMBL7310883 0.78 ALDH1A1 (0.51) ALDH1A1KDM4EHTTHPGDLMNA
SCHEMBL3918324 0.78 ALDH1A1 (0.54) ALDH1A1KDM4EHTTHPGDKMT2A
SCHEMBL30046118 0.78 ALDH1A1 (0.54) ALDH1A1KDM4EHTTHPGDLMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2547679-B1 2,3 DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.6]NONANE DERIVATIVES AND THEIR USE AS ANTAGONISTS OR INVERSE AGONISTS OF THE GHRELIN RECEPTOR PFIZER (US) 2015-11-04 EP disclosed
US-20140080756-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5]NONANE DERIVATIVES PFIZER INC. (US) 2014-03-20 US disclosed
US-8609680-B2 2,3-dihydro-1H-inden-1-yl-2,7-diazaspiro[3.5] nonane derivatives PFIZER INC. (US) 2013-12-17 US disclosed
EP-2547679-A1 2,3 DIHYDRO-1H-INDEN-1-YL- 2,7-DIAZASPIRO [3.6]NONANE DERIVATIVES AND THEIR USE AS ANTAGONISTS OR INVERSE AGONISTS OF THE GHRELIN RECEPTOR Pfizer Inc. (US) 2013-01-23 EP disclosed
WO-2011114271-A1 2,3 DIHYDRO-1H-INDEN-1-YL- 2,7-DIAZASPIRO [3.6] NONANE DERIVATIVES AND THEIR USE AS ANTAGONISTS OR INVERSE AGONISTS OF THE GHRELIN RECEPTOR PFIZER INC. (US) 2011-09-22 WO disclosed
US-20110230461-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES PFIZER INC. 2011-09-22 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-20140080756-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5]NONANE DERIVATIVES GIPR, GLP1R, GHSR ALDH1A1 1706/4885KDM4E 2805/4885HTT 642/4885
US-20110230461-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES GIPR, GLP1R, GHSR ALDH1A1 1611/4885KDM4E 2837/4885HTT 562/4885

“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.