SCHEMBL2435599

SCHEMBL2435599

COC(=O)Cc1ccc(OC)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.56
FGFR1 P11362 1/20 0.56
PDGFRA P16234 1/20 0.56
FLT1 P17948 1/20 0.56
FGFR3 P22607 1/20 0.56
KDR P35968 1/20 0.56
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 5/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MAPK1 P28482 2/20 0.52
MAPT P10636 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 1/20 0.51
AKR1C3 P42330 2/20 0.49
AKR1C2 P52895 2/20 0.49
PTPN1 P18031 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48

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
SCHEMBL14334549 0.87 MAPT (0.57) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL4014665 0.87 CYP1A2 (0.63) ALDH1A1SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL14099278 0.87 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL2436193 0.87 CYP1A2 (0.63) ALDH1A1SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL29853432 0.86 ALDH1A1 (0.52) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL26768743 0.86 ALDH1A1 (0.52) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL7594064 0.85 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL31191330 0.85 PDGFRB (0.53) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL16412469 0.84 PDGFRB (0.57) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL29777188 0.84 CYP1A2 (0.68) PDGFRBFGFR1PDGFRAFLT1FGFR3

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 PDGFRB 908/4885FGFR1 207/4885PDGFRA 657/4885
US-20110230461-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES GIPR, GLP1R, GHSR PDGFRB 1063/4885FGFR1 218/4885PDGFRA 769/4885

“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.