SCHEMBL6098293

SCHEMBL6098293

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
RAB9A P51151 3/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
AKR1C3 P42330 1/20 0.44
AKR1C1 Q04828 1/20 0.44
PDE4B Q07343 1/20 0.43
NPC1 O15118 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 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
SCHEMBL6341159 0.92 HPGD (0.51) HPGDMEN1KMT2ARAB9ATAS1R3
SCHEMBL6096546 0.86 ALDH1A1 (0.53) HPGDRAB9AAKR1C3AKR1C1HTR2A
SCHEMBL6095657 0.83 HPGD (0.52) HPGDMEN1KMT2ARAB9AAKR1C3
SCHEMBL7025306 0.80 ALDH1A1 (0.47) HPGDRAB9AAKR1C3AKR1C1HTR2A
SCHEMBL6097008 0.79 HPGD (0.48) HPGDMEN1KMT2ARAB9AAKR1C3
SCHEMBL17197559 0.79 UCHL1 (0.52) HPGDRAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL17197463 0.78 NOTUM (0.55) HPGDMEN1KMT2ARAB9ATAS1R3
SCHEMBL13688046 0.78 NOTUM (0.55) HPGDMEN1KMT2ARAB9ATAS1R3
SCHEMBL13309263 0.77 RAB9A (0.45) HPGDMEN1KMT2ARAB9ATAS1R3
SCHEMBL6097273 0.76 NOTUM (0.58) HPGDMEN1KMT2ARAB9ATAS1R3

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 11 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
US-6861420-B2 N-substituted 1,2,4,5-tetrahydro-1H-benzo[d]azepine compounds PHARMACIA & UPJOHN COMPANY (US) 2005-03-01 US disclosed
EP-1485167-A1 1,2-DIHYDROPYRAZOL-3-ONES AS CYTOKINE MEDIATORS The Procter & Gamble Company (US) 2004-12-15 EP disclosed
EP-1427727-A1 COMPOUNDS WHICH INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2004-06-16 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
WO-2003080184-A1 1,2-DIHYDROPYRAZOL-3-ONES AS CYTOKINE MEDIATORS THE PROCTER & GAMBLE COMPANY (US) 2003-10-02 WO disclosed
US-20030149024-A1 Therapeutic compounds PHARMACIA & UPJOHN COMPANY 2003-08-07 US disclosed
US-20030060458-A1 Indoles and indolines having 5-HT activity PHARMACIA & UPJOHN COMPANY 2003-03-27 US disclosed
WO-2003024970-A1 COMPOUNDS WHICH INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2003-03-27 WO 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 (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-20030149024-A1 Therapeutic compounds REN, HMGCR, RPS4X HPGD 1658/4885MEN1 428/4885KMT2A 4357/4885
US-20030060458-A1 Indoles and indolines having 5-HT activity TPH1, HTR5A, TPH2 HPGD 1569/4885MEN1 655/4885KMT2A 2428/4885

“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.