SCHEMBL4211202

SCHEMBL4211202

O=C(c1ccc(F)cc1)C1CCN(CCCCc2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 1.00
KDM4E B2RXH2 1/20 1.00
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2D6 P10635 1/20 1.00
HTR2C P28335 3/20 0.73
HTR7 P34969 3/20 0.73
HTR6 P50406 3/20 0.73
KCNH2 Q12809 1/20 0.72

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
SCHEMBL9373922 0.99 HTR2A (0.98) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9375390 0.99 HTR2A (0.98) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
Oxalic Acid SCHEMBL467239 0.98 HTR2A (0.95) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9374754 0.98 HTR2A (0.95) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1582470 0.91 HTR2A (0.87) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL7368435 0.91 HTR2A (0.83) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7418228 0.90 HTR2A (0.85) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL7252912 0.87 HTR2A (0.77) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9650868 0.86 HTR2A (0.82) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL27497536 0.84 HTR2A (0.72) HTR2AKDM4ECYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254579-B1 USE OF COMPOUNDS BINDING TO THE SIGMA RECEPTOR LIGANDS FOR THE TREATMENT OF NEUROPATHIC PAIN DEVELOPING AS A CONSEQUENCE OF CHEMOTHERAPY ESTEVE LABOR DR (ES) 2018-01-10 EP claimed
EP-1781272-B1 USE OF COMPOUNDS ACTIVE ON THE SIGMA RECEPTOR FOR THE TREATMENT OF MECHANICAL ALLODYNIA ESTEVE LABOR DR (ES) 2017-09-06 EP claimed
US-20080194631-A1 Medicament For the Treatment of Central Nervous System Disorders KEY OBS (FR) 2008-08-14 US claimed
EP-1773306-A1 MEDICAMENT FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Greenpharma (FR) 2007-04-18 EP claimed
WO-2006018538-A1 MEDICAMENT FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS GREENPHARMA (FR) 2006-02-23 WO claimed
EP-1436258-A4 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS UNIV EMORY (US) 2005-03-23 EP claimed
US-20040138502-A1 Ph-dependent nmda receptor antagonists EMORY UNIVERSITY 2004-07-15 US claimed
EP-1436258-A2 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS Emory University (US) 2004-07-14 EP claimed
WO-2002072542-A2 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS EMORY UNIVERSITY (US) 2002-09-19 WO claimed
WO-2002036113-A1 COMPOSITION COMPRISING: SEROTONIN RECEPTOR ANTAGONISTS (5HT-2, 5HT-3) AND AGONIST (5HT-4) RESPIRATORIUS AB (SE) 2002-05-10 WO claimed
WO-2002036114-A1 COMPOSITION COMPRISING SEROTONIN RECEPTOR ANTAGONISTS, 5 HT-2 AND 5 HT-3 RESPIRATORIUS AB (SE) 2002-05-10 WO claimed
EP-0294183-B1 Use of ethylamine derivatives as antihypertensive agents AJINOMOTO KK (JP) 1994-03-30 EP claimed
EP-0294183-A1 Use of ethylamine derivatives as antihypertensive agents AJINOMOTO CO., INC. (JP) 1988-12-07 EP claimed
US-9034798-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2015-05-19 US disclosed
US-8569481-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions KOESTER HUBERT 2011-05-19 US disclosed
WO-2002036113-A1 COMPOSITION COMPRISING: SEROTONIN RECEPTOR ANTAGONISTS (5HT-2, 5HT-3) AND AGONIST (5HT-4) RESPIRATORIUS AB (SE) 2002-05-10 WO disclosed
WO-2002036114-A1 COMPOSITION COMPRISING SEROTONIN RECEPTOR ANTAGONISTS, 5 HT-2 AND 5 HT-3 RESPIRATORIUS AB (SE) 2002-05-10 WO disclosed
EP-0294183-B1 Use of ethylamine derivatives as antihypertensive agents AJINOMOTO KK (JP) 1994-03-30 EP disclosed
US-5231105-A Ethylamine derivatives and antihypertensives containing the same AJINOMOTO CO., INC. (JP) 1993-07-27 US 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-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PTMS, QPCTL, SRMS HTR2A 4515/4885KDM4E 1669/4885CYP1A2 4732/4885
US-20040138502-A1 Ph-dependent nmda receptor antagonists GRIN1, GRIN2B, GRIN3A HTR2A 679/4885KDM4E 1244/4885CYP1A2 4425/4885

“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.