SCHEMBL4965283

SCHEMBL4965283

c1ccc(NC2CCCNCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.47
HTR6 P50406 4/20 0.45
PAK4 O96013 1/20 0.45
KDM1A O60341 5/20 0.44
HTR2A P28223 2/20 0.44
MAOB P27338 2/20 0.44
CISD1 Q9NZ45 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR1B P28222 1/20 0.44
SLC6A4 P31645 1/20 0.44
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR7 P34969 1/20 0.43
SOS1 Q07889 1/20 0.42
SLC18A3 Q16572 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MAOA P21397 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
KHK P50053 1/20 0.40

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
SCHEMBL6258221 0.95 SOS1 (0.45) CHEK2HTR6PAK4KDM1AHTR2A
Hydrochloric Acid SCHEMBL6258350 0.93 HTR6 (0.45) CHEK2HTR6PAK4KDM1AHTR2A
SCHEMBL918020 0.92 HTR6 (0.49) HTR6PAK4KDM1AHTR2AMAOB
Hydrochloric Acid SCHEMBL17911190 0.90 HTR6 (0.50) HTR6PAK4KDM1AHTR2AMAOB
SCHEMBL23742251 0.86 HRH1 (0.49) CHEK2HTR6PAK4SOS1KHK
SCHEMBL4885485 0.85 KDM1A (0.54) CHEK2HTR6KDM1AMAOB
SCHEMBL3801837 0.85 KDM1A (0.54) CHEK2HTR6KDM1AMAOB
SCHEMBL24699318 0.85 KDM1A (0.54) CHEK2HTR6KDM1AMAOB
SCHEMBL27178730 0.84 PRKCZ (0.43) HTR6KDM1AMAOBPIM1
SCHEMBL1425186 0.82 KDM4E (0.52) CARM1PRMT6

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893214-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING ALKYLQUINOLINES AND ALKYLQUINAZOLINES JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-05 EP disclosed
EP-1893598-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-05 EP disclosed
WO-2006135629-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING ALKYLQUINOLINES AND ALKYLQUINAZOLINES JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed
WO-2006135721-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed
WO-2006062981-A2 ANTAGONISTS TO THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2006-06-15 WO disclosed
US-20060128710-A1 Antagonists to the vanilloid receptor subtype 1 (VR1) and uses thereof ABBOTT LABORATORIES 2006-06-15 US disclosed
EP-1646621-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2006-04-19 EP disclosed
WO-2005007642-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2005-01-27 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 (1 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-20060128710-A1 Antagonists to the vanilloid receptor subtype 1 (VR1) and uses thereof OPRL1, AVPR1A, AVPR2 CHEK2 4280/4885HTR6 687/4885PAK4 3547/4885

“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.