SCHEMBL2437800

SCHEMBL2437800

COC(=O)Cc1ccc(OC)cc1C#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.55
RAB9A P51151 6/20 0.55
HSD17B10 Q99714 4/20 0.55
TP53 P04637 2/20 0.55
KDM4E B2RXH2 4/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
NFKB1 P19838 3/20 0.49
NFKB2 Q00653 3/20 0.49
RELA Q04206 3/20 0.49
CLK1 P49759 1/20 0.49
HPGD P15428 1/20 0.49
MAPK8 P45983 2/20 0.44
MAPK9 P45984 2/20 0.44
ACACB O00763 1/20 0.43
CYP1A2 P05177 2/20 0.43
GLA P06280 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 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
SCHEMBL2441387 0.86 HSD17B10 (0.58) NPC1RAB9AHSD17B10TP53KDM4E
SCHEMBL23599468 0.82 MAPT (0.43) NPC1RAB9AHSD17B10TP53KDM4E
SCHEMBL18245557 0.82 KDM4E (0.43) NPC1RAB9AHSD17B10TP53KDM4E
SCHEMBL28068640 0.82 HPGD (0.45) NPC1RAB9AHSD17B10TP53KDM4E
SCHEMBL7672598 0.80 NPC1 (0.47) NPC1RAB9AHSD17B10TP53KDM4E
SCHEMBL21780744 0.80 NPC1 (0.47) NPC1RAB9AHSD17B10TP53KDM4E
SCHEMBL22916686 0.79 KDM4E (0.44) NPC1RAB9AHSD17B10TP53KDM4E
SCHEMBL7672592 0.79 NPC1 (0.46) NPC1RAB9AHSD17B10TP53KDM4E
SCHEMBL28743352 0.78 POLB (0.64) NPC1RAB9AHSD17B10TP53KDM4E
SCHEMBL3918324 0.78 ALDH1A1 (0.54) NPC1RAB9AHSD17B10KDM4EALDH1A1

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 NPC1 1017/4885RAB9A 1048/4885HSD17B10 1204/4885
US-20110230461-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES GIPR, GLP1R, GHSR NPC1 1028/4885RAB9A 1030/4885HSD17B10 1282/4885

“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.