SCHEMBL7249369

SCHEMBL7249369

Nc1ccc(OCCN2CCc3ccccc3C2)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
ABCB1 P08183 1/20 0.52
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
TAAR1 Q96RJ0 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
HTR5A P47898 1/20 0.49
MAOB P27338 4/20 0.48
MAOA P21397 2/20 0.48
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
HTR2A P28223 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
SCHEMBL7246779 0.95 HTR5A (0.57) L3MBTL1ABCB1GAAHPGDMEN1
SCHEMBL7253739 0.84 L3MBTL1 (0.64) L3MBTL1ABCB1TAAR1MEN1KMT2A
SCHEMBL216071 0.82 KDM4E (0.54) MEN1KMT2AKDM4EMAPTDRD3
SCHEMBL13320395 0.82 KDM4E (0.51) MEN1KMT2AKDM4EMAPTTDP1
SCHEMBL22348748 0.81 LTA4H (0.62) MEN1KMT2AKDM4EMAPTTDP1
SCHEMBL2735456 0.80 KDM4E (0.63) MEN1KMT2AKDM4ETDP1
SCHEMBL7341974 0.79 TAAR1 (0.48) L3MBTL1ABCB1TAAR1MEN1KMT2A
SCHEMBL3381012 0.78 KDM4E (0.64) MEN1KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL30511318 0.78 KDM4E (0.64) MEN1KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL8789322 0.78 HTR5A (0.67) L3MBTL1GAATAAR1MEN1KMT2A

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-20030144319-A1 Subtype-selective NMDA receptor ligands and the use thereof BIGGE CHRISTOPHER F (US) 2003-07-31 US disclosed
US-6534522-B2 E.g.,N-((4-amino-3-nitrophenoxy)ethyl)-1,2,3,4-tetrahydro -isoquinoline; stroke; antiischemic agents; CNS trauma, hyperglycemic agents; surgery; neurodegenerative diseases including Alzheimer's disease, amyotrophic lateral sclerosis WARNER-LAMBERT COMPANY 2003-03-18 US disclosed
US-20010051633-A1 Subtype-selective NMDA receptor ligands and the use thereof BIGGE CHRISTOPHER F (US) 2001-12-13 US disclosed
US-6218404-B1 THERAPY AND PROPHYLAXIS OF NEURONAL LOSS ASSOCIATED WITH STROKE, ISCHEMIA, CNS TRAUMA, HYPOGLYCEMIA AND SURGERY, NEURO-DEGENERATIVE DISEASES INCLUDING ALZHEIMER'S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS, HUNTINGTON'S DISEASE WARNER-LAMBERT CO. 2001-04-17 US disclosed
WO-1997023458-A1 SUBTYPE-SELECTIVE NMDA RECEPTOR LIGANDS AND THE USE THEREOF WARNER-LAMBERT COMPANY (US) 1997-07-03 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-20030144319-A1 Subtype-selective NMDA receptor ligands and the use thereof OPRK1, OPRD1, OPRL1 L3MBTL1 1288/4885ABCB1 984/4885GAA 355/4885
US-20010051633-A1 Subtype-selective NMDA receptor ligands and the use thereof OPRK1, OPRD1, OPRL1 L3MBTL1 1288/4885ABCB1 984/4885GAA 355/4885

“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.