SCHEMBL2432038

SCHEMBL2432038

Cc1ccnc(-c2ccc3c(c2)CCC3=O)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
HSD17B1 P14061 5/20 0.49
GRM1 Q13255 1/20 0.43
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PGR P06401 1/20 0.42
MKNK1 Q9BUB5 1/20 0.40
PDE4D Q08499 1/20 0.38
BRD4 O60885 1/20 0.38
GRM5 P41594 1/20 0.37
CYP3A4 P08684 2/20 0.36
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 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
SCHEMBL2433975 0.83 CYP1A2 (0.60) CYP1A2CYP11B1CYP11B2HSD17B1GRM1
SCHEMBL2443530 0.79 CYP1A2 (0.52) CYP1A2CYP11B1CYP11B2HSD17B1GRM1
SCHEMBL2448407 0.78 KDM4E (0.49) CYP1A2CYP11B1CYP11B2HSD17B1GRM1
SCHEMBL13680668 0.77 CYP1A2 (0.50) CYP1A2CYP11B1CYP11B2HSD17B1GRM1
SCHEMBL14514504 0.75 L3MBTL1 (0.51) CYP1A2CYP11B1CYP11B2HSD17B1GRM1
SCHEMBL28655414 0.75 HSD17B1 (0.78) CYP1A2CYP11B1CYP11B2HSD17B1GRM1
SCHEMBL30558477 0.73 HSD17B1 (0.57) CYP1A2CYP11B1CYP11B2HSD17B1PGR
SCHEMBL17361586 0.73 HSD17B1 (0.57) CYP1A2CYP11B1CYP11B2HSD17B1PGR
SCHEMBL1747435 0.73 HSD17B1 (0.69) CYP1A2CYP11B1CYP11B2HSD17B1GRM1
SCHEMBL13680735 0.72 HSD17B1 (0.48) CYP1A2CYP11B1CYP11B2HSD17B1GRM1

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 12 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
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-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-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
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
US-20110230461-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES PFIZER INC. 2011-09-22 US 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 CYP1A2 2334/4885CYP11B1 647/4885CYP11B2 565/4885
US-20110230461-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES GIPR, GLP1R, GHSR CYP1A2 2345/4885CYP11B1 765/4885CYP11B2 666/4885

“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.