SCHEMBL2306964

SCHEMBL2306964

O=C1N(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CCCC1(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.56
DRD3 P35462 5/20 0.52
DRD1 P21728 3/20 0.52
HTR7 P34969 5/20 0.51
ABCB11 O95342 1/20 0.50
ADRA2A P08913 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50
TBXA2R P21731 1/20 0.50
SLC6A4 P31645 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRM1 P35372 1/20 0.50
KCNH2 Q12809 1/20 0.50
SIGMAR1 Q99720 1/20 0.48
DRD2 P14416 2/20 0.48
DRD5 P21918 1/20 0.47

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
SCHEMBL2315114 0.94 DRD3 (0.59) HTR1ADRD3DRD1HTR7DRD2
SCHEMBL2312176 0.94 HTR1A (0.55) HTR1ADRD3DRD1HTR7ABCB11
SCHEMBL2308644 0.92 HTR1A (0.57) HTR1ADRD3DRD1HTR7ABCB11
SCHEMBL2311660 0.86 DRD3 (0.64) HTR1ADRD3DRD1HTR7SIGMAR1
SCHEMBL2536511 0.78 DRD3 (0.49) HTR1ADRD3DRD1SLC6A4SIGMAR1
SCHEMBL2537037 0.73 FAAH (0.47)
SCHEMBL9844858 0.72 HTR1A (1.00) HTR1AHTR7ADRA1ADRD2
SCHEMBL11465528 0.71 SIGMAR1 (0.76) HTR1ADRD3DRD1HTR7ADRA1A
SCHEMBL5178743 0.70 HTR7 (0.72) HTR1ADRD3DRD1HTR7SIGMAR1
SCHEMBL9581047 0.69 HTR7 (0.71) HTR1ADRD3DRD1HTR7SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US claimed
EP-2350002-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-08-03 EP claimed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US claimed
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US disclosed
EP-2350002-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-08-03 EP disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
WO-2010039947-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-08 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-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1S, CACNA1D HTR1A 221/4885DRD3 937/4885DRD1 766/4885

“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.