SCHEMBL1613091

SCHEMBL1613091

COc1ccc([N+](=O)[O-])cc1N1CCNCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.66
HTR3E A5X5Y0 2/20 0.59
HTR3B O95264 2/20 0.59
HTR3A P46098 2/20 0.59
HTR3D Q70Z44 2/20 0.59
HTR3C Q8WXA8 2/20 0.59
LMNA P02545 3/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ADRB1 P08588 2/20 0.54
DRD2 P14416 1/20 0.54
CYP2C19 P33261 1/20 0.54
DRD3 P35462 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
SIRT6 Q8N6T7 1/20 0.54
HIF1A Q16665 1/20 0.53
HTT P42858 1/20 0.51
HTR7 P34969 1/20 0.51

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
Hydrochloric Acid SCHEMBL3258618 0.99 HTR6 (0.65) HTR6HTR3EHTR3BHTR3AHTR3D
SCHEMBL8715563 0.99 HTR6 (0.65) HTR6HTR3EHTR3BHTR3AHTR3D
SCHEMBL6606828 0.89 ALDH1A1 (0.60) HTR6HTR3EHTR3BHTR3AHTR3D
SCHEMBL31267415 0.89 ALDH1A1 (0.60) HTR6HTR3EHTR3BHTR3AHTR3D
SCHEMBL4865184 0.84 HTR6 (0.62) HTR6LMNAALDH1A1MAPTMAPK1
SCHEMBL520263 0.83 SLC6A5 (0.61) LMNAALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL29833031 0.83 SLC6A5 (0.61) LMNAALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL283237 0.83 ALDH1A1 (0.60) HTR6LMNAALDH1A1MAPTMAPK1
SCHEMBL6982016 0.83 LMNA (0.56) HTR6LMNAALDH1A1MAPTMAPK1
SCHEMBL5205570 0.81 ADRB1 (0.58) HTR6HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2938608-B1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD BURNHAM MED RES INST (US) 2021-08-04 EP disclosed
US-9868707-B2 Small molecule agonists of neurotensin receptor 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-01-16 US disclosed
US-20150329497-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 DUKE UNIVERSITY (US) 2015-11-19 US disclosed
EP-2938608-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 Sanford-Burnham Medical Research Institute (US) 2015-11-04 EP disclosed
WO-2014100501-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-06-26 WO disclosed
EP-1971606-B1 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-04-24 EP disclosed
WO-2011163279-A3 LOW-POWER WIRELESSLY-LINKED RFID TRACKING SYSTEM ROSE MARK D (US) 2012-05-10 WO disclosed
EP-2406234-A1 THIAZOLE SULFONAMIDE AND OXAZOLE SULFONAMIDE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2012-01-18 EP disclosed
US-20110319392-A1 Thiazole Sulfonamide And Oxazole Sulfonamide Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-12-29 US disclosed
US-20110319392-A1 Thiazole Sulfonamide And Oxazole Sulfonamide Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-12-29 US disclosed
US-20020025965-A1 Antiserotonine agents ADIR ET COMPAGNIE (FR) 2002-02-28 US disclosed
EP-1170288-A2 Diphenylureum derivatives and their use as alpha2/5-HT2c antagonists LES LABORATOIRES SERVIER (FR) 2002-01-09 EP disclosed
EP-0946539-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1999-10-06 EP disclosed
US-5789412-A 5-HYDROXYTRYPTAMINE (SEROTONIN) RECEPTOR ANTAGONISTS FOR THE CURATIVE OR PREVENTIVE TREATMENT OF PAIN, DEPRESSION, OBSESSIVE COMPULSIVE DISORDERS, ANXIETY OR PANIC ATTACK, OR CANCER PIERRE FABRE MEDICAMENT (FR) 1998-08-04 US disclosed
WO-1998027081-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1998-06-25 WO disclosed
EP-0773937-A1 NOVEL ARYL PIPERAZINE-DERIVED PIPERAZIDE DERIVATIVES, METHODS FOR THEIR PREPARATION, THEIR USE AS DRUGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME PIERRE FABRE MEDICAMENT (FR) 1997-05-21 EP disclosed
WO-1996002525-A1 NOVEL ARYL PIPERAZINE-DERIVED PIPERAZIDE DERIVATIVES, METHODS FOR THEIR PREPARATION, THEIR USE AS DRUGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME PIERRE FABRE MEDICAMENT (FR) 1996-02-01 WO disclosed
US-5358948-A Psychological, nervous system disorders GLAXCO GROUP LIMITED (GB) 1994-10-25 US disclosed
WO-1993006084-A1 BENZANILIDE DERIVATIVES AS 5-HT1D ANTAGONISTS GLAXO GROUP LIMITED (GB) 1993-04-01 WO disclosed
EP-0533267-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 EP 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 (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-20020025965-A1 Antiserotonine agents HTR2C, HTR3C, HTR3A HTR6 26/4885HTR3E 14/4885HTR3B 5/4885
US-20110319392-A1 Thiazole Sulfonamide And Oxazole Sulfonamide Kinase Inhibitors STK24, MAP3K5, MAP3K2 HTR6 3208/4885HTR3E 3098/4885HTR3B 3824/4885
US-20150329497-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 NTSR1, NTSR2, VIPR1 HTR6 269/4885HTR3E 290/4885HTR3B 121/4885

“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.