SCHEMBL2404396

SCHEMBL2404396

CNCCc1c[nH]c2ccc(F)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MPO P05164 12/20 1.00
KMT2A Q03164 2/20 0.68
KDM4E B2RXH2 1/20 0.68
MEN1 O00255 1/20 0.68
CYP2D6 P10635 1/20 0.68
HTR2C P28335 1/20 0.68
NOTUM Q6P988 2/20 0.68
MTNR1A P48039 1/20 0.68
MTNR1B P49286 1/20 0.68
GPR84 Q9NQS5 1/20 0.68
SLC6A4 P31645 2/20 0.68
HTR2A P28223 2/20 0.65
HTR1A P08908 2/20 0.65
HTR1D P28221 1/20 0.65
HTR1B P28222 1/20 0.65
TRPM8 Q7Z2W7 1/20 0.65

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
SCHEMBL5238410 0.91 MPO (1.00) MPOGPR84SLC6A4
SCHEMBL6971576 0.90 MPO (0.92) MPOGPR84SLC6A4
SCHEMBL11992509 0.88 MPO (0.78) MPOKMT2AKDM4EMEN1CYP2D6
Hydrochloric Acid SCHEMBL21546035 0.86 MPO (0.76) MPOKMT2AKDM4EMEN1CYP2D6
SCHEMBL2405001 0.85 MPO (1.00) MPONOTUMMTNR1AMTNR1BSLC6A4
SCHEMBL14036644 0.84 MPO (0.72) MPOKMT2AHTR2CGPR84SLC6A4
SCHEMBL2403826 0.84 MPO (1.00) MPONOTUMMTNR1AMTNR1BSLC6A4
SCHEMBL2404826 0.84 MPO (0.72) MPOKMT2AHTR2CNOTUMMTNR1A
SCHEMBL4303662 0.83 KDM4E (0.70) MPOKMT2AKDM4EMEN1CYP2D6
Iodide SCHEMBL30672192 0.82 MPO (0.70) MPOKMT2AHTR2CNOTUMMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0580633-B1 HETEROCYCLIC AMINES USEFUL IN THE THERAPY OF ASTHMA AND INFLAMMATION OF THE RESPIRATORY TRACT BOEHRINGER MANNHEIM ITALIA (IT) 1998-06-17 EP claimed
CN-117957211-A Fluorinated tryptamine compounds, analogs thereof, and methods of use thereof 圣约瑟夫大学 2024-04-30 CN disclosed
WO-2023129976-A1 SALT AND SOLID FORMS OF KETANSERIN TERRAN BIOSCIENCES, INC. (US) 2023-07-06 WO disclosed
WO-2022256554-A1 FLUORINATED TRYPTAMINE COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME UNIVERSITY OF THE SCIENCES (US) 2022-12-08 WO disclosed
CN-104557664-B Aromatic heterocyclic derivative and application thereof in medicines 广东东阳光药业有限公司 2020-01-21 CN disclosed
EP-2044056-B1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS NOVARTIS AG (CH) 2012-08-22 EP disclosed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
CN-102164896-A Phenethylamide derivatives and their heterocyclic analogues ACTELION PHARMACEUTICALS LTD 2011-08-24 CN disclosed
US-7989458-B2 Pyrimidine derivatives as alk-5 inhibitors NOVARTIS AG (CH) 2011-08-02 US disclosed
US-7989458-B2 Pyrimidine derivatives as alk-5 inhibitors NOVARTIS AG (CH) 2011-08-02 US disclosed
US-20080227823-A1 (E)-4-(3-(3-bromo-4-fluorophenyl)acrylamido)-N-(2-(5-fluoro-1H-indol-3-yl)ethyl)piperidine-4-carboxamide; ameliorating conditions characterized by unwanted calcium channel activity, particularly unwanted T-type calcium channel activity ZALICUS PHARMACEUTICALS LTD. (CA) 2008-09-18 US disclosed
US-20080227823-A1 (E)-4-(3-(3-bromo-4-fluorophenyl)acrylamido)-N-(2-(5-fluoro-1H-indol-3-yl)ethyl)piperidine-4-carboxamide; ameliorating conditions characterized by unwanted calcium channel activity, particularly unwanted T-type calcium channel activity ZALICUS PHARMACEUTICALS LTD. (CA) 2008-09-18 US disclosed
WO-2008006583-A1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS NOVARTIS AG (CH) 2008-01-17 WO disclosed
EP-1878733-A1 Pyrimidine derivatives as ALK-5 inhibitors Novartis AG (CH) 2008-01-16 EP disclosed
US-20060292255-A1 Pharmaceutical and therapeutic compositions derived from Garcinia mangostana L plant RENAISSSANCE HERBS INC. 2006-12-28 US disclosed
US-20060105069-A1 Pharmaceutical and therapeutic compositions derived from Garcinia mangostana L plant RENAISSANCE HERBS, INC. 2006-05-18 US disclosed
EP-0848706-B1 SUBSTITUTED BENZENE-FUSED HETEROCYCLICS AS NEUROKININ ANTAGONISTS SCHERING CORP (US) 2003-02-05 EP disclosed
EP-0848706-A1 SUBSTITUTED BENZENE-FUSED HETERO- AND CARBOCYCLICS AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1998-06-24 EP disclosed
US-5691362-A ANTIHISTAMINES, BRONCHODILATORS, ANTIINFLAMMATORY AGENTS, GASTROINTESTINAL DISORDERS SCHERING-PLOUGH CORPORATION (US) 1997-11-25 US disclosed
WO-1996039383-A1 SUBSTITUTED BENZENE-FUSED HETERO- AND CARBOCYCLICS AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1996-12-12 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-20080227823-A1 (E)-4-(3-(3-bromo-4-fluorophenyl)acrylamido)-N-(2-(5-fluoro-1H-indol-3-yl)ethyl)piperidine-4-carboxamide; ameliorating conditions characterized by unwanted calcium channel activity, particularly unwanted T-type calcium channel activity CACNA1G, KCNN4, CACNA1E MPO 2120/4885KMT2A 3432/4885KDM4E 2150/4885
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 MPO 3915/4885KMT2A 253/4885KDM4E 452/4885

“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.