SCHEMBL6095657

SCHEMBL6095657

O=C(O)N1CCc2cccc([N+](=O)[O-])c2CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.52
AKR1C3 P42330 1/20 0.50
AKR1C1 Q04828 1/20 0.50
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
PDE4B Q07343 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.41
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41

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
SCHEMBL6098293 0.83 HPGD (0.48) HPGDAKR1C3AKR1C1RAB9AALDH1A1
SCHEMBL6097008 0.83 HPGD (0.48) HPGDAKR1C3AKR1C1RAB9AALDH1A1
SCHEMBL6096546 0.80 ALDH1A1 (0.53) HPGDAKR1C3AKR1C1RAB9AALDH1A1
SCHEMBL13688046 0.80 NOTUM (0.55) HPGDAKR1C3AKR1C1RAB9AALDH1A1
SCHEMBL17197463 0.80 NOTUM (0.55) HPGDAKR1C3AKR1C1RAB9AALDH1A1
SCHEMBL6341159 0.78 HPGD (0.51) HPGDRAB9AALDH1A1MAPTHTT
SCHEMBL17197559 0.75 UCHL1 (0.52) HPGDAKR1C3AKR1C1RAB9AALDH1A1
SCHEMBL27796854 0.75 HPGD (0.47) HPGDAKR1C3AKR1C1RAB9AALDH1A1
SCHEMBL7025306 0.74 ALDH1A1 (0.47) HPGDAKR1C3AKR1C1RAB9AALDH1A1
SCHEMBL6688479 0.74 MAPT (0.51) ALDH1A1MAPTMEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022694-B2 Indoles and indolines having 5-HT activity PHARMACIA & UPJOHN COMPANY (US) 2006-04-04 US disclosed
EP-1406902-B1 HEXAHYDROAZEPINO[4,5-G]INDOLES AND INDOLINES AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN CO LLC (US) 2005-10-19 EP disclosed
EP-1406902-A1 HEXAHYDROAZEPINO(4,5-G)INDOLES AND INDOLINES AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2004-04-14 EP disclosed
US-20030060458-A1 Indoles and indolines having 5-HT activity PHARMACIA & UPJOHN COMPANY 2003-03-27 US disclosed
WO-2003006466-A1 HEXAHYDROAZEPINO (4, 5-G) INDOLES AND INDOLINES AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2003-01-23 WO 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 (1 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-20030060458-A1 Indoles and indolines having 5-HT activity TPH1, HTR5A, TPH2 HPGD 1569/4885AKR1C3 993/4885AKR1C1 1224/4885

“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.