SCHEMBL6097088

SCHEMBL6097088

COC(=O)N1CCc2ccc([N+](=O)[O-])cc2CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
RAB9A P51151 2/20 0.47
NPC1 O15118 2/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 3/20 0.44
HTT P42858 3/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
ADRA2A P08913 1/20 0.44
PNMT P11086 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
DRD2 P14416 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL1295027 0.86 ALDH1A1 (0.61) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL2306719 0.85 ALDH1A1 (0.62) MEN1KMT2ARAB9ANPC1HPGD
SCHEMBL2310023 0.84 ALDH1A1 (0.55) MEN1KMT2ARAB9ANPC1HPGD
SCHEMBL2062288 0.82 PNMT (0.49) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL17797648 0.82 HPGD (0.51) MEN1KMT2ARAB9ANPC1HPGD
SCHEMBL3028258 0.81 ALDH1A1 (0.49) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL2061374 0.81 HPGD (0.47) MEN1KMT2ARAB9ANPC1HPGD
SCHEMBL29052165 0.80 DRD2 (0.46) ALDH1A1SMN1; SMN2MAPTHTTLMNA
SCHEMBL25321827 0.80 HTR2C (0.56) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL30475931 0.80 HTR2C (0.56) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT

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 15 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
US-6972286-B2 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle PHARMACIA AND UPJOHN COMPANY (US) 2005-12-06 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
US-20040186293-A1 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle JOHNSON PAUL D (US) 2004-09-23 US disclosed
US-20040176609-A1 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle JOHNSON PAUL D (US) 2004-09-09 US 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
EP-1337530-A1 OXAZOLIDINONES HAVING A BENZANNULATED 6-OR 7-MEMBERED HETEROCYCLE AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company (US) 2003-08-27 EP disclosed
US-20030149024-A1 Therapeutic compounds PHARMACIA & UPJOHN COMPANY 2003-08-07 US disclosed
EP-1324974-A2 DRUGS FOR DIABETES Nicox S.A. (FR) 2003-07-09 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
US-20020133021-A1 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle PHARMACIA & UPJOHN COMPANY 2002-09-19 US disclosed
WO-2002059115-A1 OXAZOLIDINONES HAVING A BENZANNULATED 6-OR 7-MEMBERED HETEROCYCLE AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-08-01 WO disclosed
WO-2002030867-A2 DRUGS FOR DIABETES NICOX S.A. (FR) 2002-04-18 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 (5 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-20020133021-A1 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle OXA1L, CDK16, MT-ND6 MEN1 2504/4885KMT2A 3354/4885RAB9A 3115/4885
US-20030149024-A1 Therapeutic compounds REN, HMGCR, RPS4X MEN1 428/4885KMT2A 4357/4885RAB9A 996/4885
US-20030060458-A1 Indoles and indolines having 5-HT activity TPH1, HTR5A, TPH2 MEN1 655/4885KMT2A 2428/4885RAB9A 1373/4885
US-20040186293-A1 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle OXA1L, CDK16, MT-ND6 MEN1 2504/4885KMT2A 3354/4885RAB9A 3115/4885
US-20040176609-A1 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle OXA1L, CDK16, MT-ND6 MEN1 2504/4885KMT2A 3354/4885RAB9A 3115/4885

“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.