SCHEMBL399565

SCHEMBL399565

NC(=O)CNC1Cc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.50
DPP4 P27487 1/20 0.48
GRIN2B Q13224 3/20 0.47
MAPT P10636 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MTNR1A P48039 4/20 0.45
MTNR1B P49286 4/20 0.45
SIGMAR1 Q99720 1/20 0.45
GRM7 Q14831 2/20 0.44
PRMT5 O14744 5/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL29378921 1.00 KDM1A (0.50) KDM1ADPP4GRIN2BMAPTCA1
Hydrochloric Acid SCHEMBL29711570 0.98 KDM1A (0.49) KDM1ADPP4GRIN2BMAPTCA1
Hydrochloric Acid SCHEMBL4869944 0.98 KDM1A (0.49) KDM1ADPP4GRIN2BMAPTCA1
SCHEMBL12656430 0.89 GRIN2B (0.56) DPP4GRIN2BCA1CA2MTNR1A
SCHEMBL255286 0.83 GRIN2B (0.53) DPP4GRIN2BMAPTMTNR1AMTNR1B
SCHEMBL29434614 0.83 GRIN2B (0.53) DPP4GRIN2BMAPTMTNR1AMTNR1B
SCHEMBL13846495 0.82 GRIN2B (0.55) DPP4GRIN2BMAPTCA1CA2
SCHEMBL13981017 0.81 MTNR1A (0.51) DPP4GRIN2BMAPTMTNR1AMTNR1B
Bicarbonate SCHEMBL2441660 0.81 GRIN2B (0.51) DPP4GRIN2BMAPTMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL10493696 0.81 GRIN2B (0.51) DPP4GRIN2BMAPTMTNR1AMTNR1B

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 128 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019178267-A2 INDUCTIVE REGENERATION OF THE AIRWAY BY TRANSCRIPTIONAL FACTOR MODULATION OF GLANDULAR MYOEPITHELIAL STEM CELLS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2019-09-19 WO claimed
CN-102143961-B Benzoxazines, benzothiazines, and related compounds having NOS inhibitory activity NEURAXON INC 2014-11-05 CN claimed
US-8586620-B2 Substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2013-11-19 US claimed
JP-2011526251-A 2011-10-06 JP claimed
US-20110212947-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC. (CA) 2011-09-01 US claimed
EP-2310386-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2011-04-20 EP claimed
EP-1883451-B9 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2011-02-09 EP claimed
CN-101910157-A Indole compounds and methods of treating visceral pain NEURAXON INC 2010-12-08 CN claimed
EP-1883451-B1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2010-11-24 EP claimed
EP-2220074-A1 3,5-SUBSTITUTED INDOLE COMPOUNDS HAVING NOS AND NOREPINEPHRINE REUPTAKE INHIBITORY ACTIVITY Neuraxon, INC. (CA) 2010-08-25 EP claimed
CN-101247853-A Substituted indole compounds having NOS inhibitory activity NEURAXON INC (CA) 2008-08-20 CN claimed
EP-1909781-A1 THERAPEUTIC COMBINATION COMPRISING A NMDA RECEPTORS BLOCKER AND A NARCOTIC ANALGESIC SUBSTANCE CHIESI FARMACEUTICI S.p.A. (IT) 2008-04-16 EP claimed
EP-1888568-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS WITH DUAL NOS INHIBITORY ACTIVITY AND MUOPIOID AGONIST ACTIVITY Neuraxon Inc. (CA) 2008-02-20 EP claimed
EP-1883451-A2 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2008-02-06 EP claimed
WO-2007063418-A2 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2007-06-07 WO claimed
WO-2007017058-A1 THERAPEUTIC COMBINATION COMPRISING A NMDA RECEPTORS BLOCKER AND A NARCOTIC ANALGESIC SUBSTANCE CHIESI FARMACEUTICI S.P.A. (IT) 2007-02-15 WO claimed
WO-2007017764-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS WITH DUAL NOS INHIBITORY ACTIVITY AND MUOPIOID AGONIST ACTIVITY NEURAXON, INC. (CA) 2007-02-15 WO claimed
US-20060258721-A1 Substituted indole compounds having NOS inhibitory activity NEURAXON INC. (CA) 2006-11-16 US claimed
WO-2004039371-A2 COMPOSITIONS OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS AND NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF NEUROPATHIC PAIN PHARMACIA CORPORATION (US) 2004-05-13 WO claimed
US-20040082543-A1 Compositions of cyclooxygenase-2 selective inhibitors and NMDA receptor antagonists for the treatment or prevention of neuropathic pain PHARMACIA CORPORATION 2004-04-29 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20110212947-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 KDM1A 1705/4885DPP4 2163/4885GRIN2B 108/4885
US-20060258721-A1 Substituted indole compounds having NOS inhibitory activity NOS2, NOS1, NOS3 KDM1A 1705/4885DPP4 2163/4885GRIN2B 108/4885
US-20040082543-A1 Compositions of cyclooxygenase-2 selective inhibitors and NMDA receptor antagonists for the treatment or prevention of neuropathic pain GRIN2A, GRIN2B, GRIN3A KDM1A 1088/4885DPP4 3152/4885GRIN2B 2/4885

“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.