SCHEMBL3058922

SCHEMBL3058922

CN1CCN(c2ccc(CNc3ccc(F)cc3)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.53
▸ HRH3 Q9Y5N1 1/20 0.53
▸ AURKA O14965 1/20 0.50
▸ ABL1 P00519 1/20 0.50
▸ NTRK1 P04629 1/20 0.50
▸ LCK P06239 1/20 0.50
▸ CSF1R P07333 1/20 0.50
▸ RET P07949 1/20 0.50
▸ MET P08581 1/20 0.50
▸ PDGFRB P09619 1/20 0.50
▸ PIM1 P11309 1/20 0.50
▸ PDGFRA P16234 1/20 0.50
▸ FLT3 P36888 1/20 0.50
▸ MAPK8 P45983 1/20 0.50
▸ CDK8 P49336 1/20 0.50
▸ MAP2K1 Q02750 1/20 0.50
▸ MAP4K2 Q12851 1/20 0.50
▸ ROCK1 Q13464 1/20 0.50
▸ NTRK3 Q16288 1/20 0.50
▸ MAPK14 Q16539 1/20 0.50

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 SCHEMBL3826981 0.99 HRH4 (0.52) HRH4HRH3AURKAABL1NTRK1
SCHEMBL3063613 0.85 DRD2 (0.54) AURKAABL1NTRK1LCKCSF1R
SCHEMBL4738295 0.85 BPTF (0.51) AURKAABL1NTRK1LCKCSF1R
SCHEMBL4737532 0.85 GAA (0.51) AURKAABL1NTRK1LCKCSF1R
SCHEMBL22279049 0.81 P4HTM (0.51) DRD3HTR1ADRD4HTR2ADRD2
SCHEMBL22279043 0.80 P4HTM (0.50) SMN1; SMN2GAAKDM4EMAPTALOX15
SCHEMBL3063745 0.80 GAA (0.70) HRH4HRH3SMN1; SMN2GAAKDM4E
SCHEMBL25156908 0.78 HTR3A (0.44) HRH4DRD3HTR1ADRD4HTR2A
SCHEMBL22279048 0.78 GAA (0.55) SMN1; SMN2GAAKDM4EMAPTALOX15
SCHEMBL15857987 0.77 TDO2 (0.56) HRH4HRH3DRD3HTR1ADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 — — US claimed
EP-2099754-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-16 — — EP claimed
EP-2097379-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-09 — — EP claimed
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 — — WO claimed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 — — WO claimed
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 — — WO claimed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 — — US disclosed
EP-2099754-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-16 — — EP disclosed
EP-2097379-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-09 — — EP disclosed
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 — — WO disclosed
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 — — WO disclosed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 — — 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-20100267697-A1 ION CHANNEL MODULATORS CACNA1E, CACNA1A, CACNA1S HRH4 545/4885HRH3 680/4885AURKA 3720/4885

“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.

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