SCHEMBL2436724

SCHEMBL2436724

COC(=O)Cc1ccc(OC)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
HPGD P15428 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HSD17B10 Q99714 2/20 0.46
AKR1C3 P42330 3/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
POLB P06746 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
PTGS1 P23219 1/20 0.42
AKR1C2 P52895 1/20 0.42
HTT P42858 3/20 0.42
APLNR P35414 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL30046118 1.00 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EHSD17B10AKR1C3
SCHEMBL29853520 0.88 HPGD (0.52) ALDH1A1HPGDKDM4EHSD17B10AKR1C3
SCHEMBL898733 0.88 HPGD (0.52) ALDH1A1HPGDKDM4EHSD17B10AKR1C3
SCHEMBL27854636 0.87 HTT (0.44) ALDH1A1HPGDKDM4EPOLBKMT2A
SCHEMBL27634750 0.86 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EHSD17B10AKR1C3
SCHEMBL26811880 0.86 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EHSD17B10AKR1C3
SCHEMBL13742193 0.85 PPARG (0.47) ALDH1A1HPGDKDM4EHSD17B10POLB
SCHEMBL27599607 0.85 PGR (0.45) ALDH1A1HPGDKDM4EPOLBKMT2A
SCHEMBL30106457 0.84 HPGD (0.42) ALDH1A1HPGDKDM4EHSD17B10POLB
SCHEMBL10833911 0.84 HPGD (0.42) ALDH1A1HPGDKDM4EHSD17B10POLB

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 1706/4885HPGD 2183/4885KDM4E 2805/4885
US-20110230461-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES GIPR, GLP1R, GHSR ALDH1A1 1611/4885HPGD 2185/4885KDM4E 2837/4885

“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.