SCHEMBL1492353

SCHEMBL1492353

Cn1ccc2ccc(N3CCN(CCn4c(=O)n(C5=CCCCC5)c5ccccc54)CC3)cc21

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.49
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL1492376 0.93 HTR7 (0.49) HTR7ADRA1DADRA1AADRA1BHTR6
SCHEMBL1492422 0.84 HTR7 (0.49) HTR7ADRA1AHTR1A
SCHEMBL1186445 0.82 HTR7 (0.58) HTR7ADRA1DADRA1AADRA1BHTR1A
SCHEMBL1492411 0.81 HTR7 (0.48) HTR7ADRA1AHTR1A
SCHEMBL1185143 0.81 HTR7 (0.52) HTR7ADRA1DADRA1AADRA1BDRD2
SCHEMBL1494526 0.77 HTR7 (0.46) HTR7ADRA1DADRA1AADRA1B
Fumaric Acid SCHEMBL1185751 0.76 HTR7 (0.53) HTR7HTR1ADRD2
SCHEMBL1492377 0.70 LMNA (0.44) HTR7
SCHEMBL20371571 0.70 LMNA (0.46)
SCHEMBL1494352 0.69 HTR7 (0.46) HTR7ADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220604-A1 PIPERAZINYL-ALKYL-BENZOIMIDAZOL-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2012-08-30 US claimed
WO-2011032903-A1 PIPERAZINYL-ALKYL-BENZOIMIDAZOL-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-03-24 WO claimed
US-20120220604-A1 PIPERAZINYL-ALKYL-BENZOIMIDAZOL-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2012-08-30 US disclosed
WO-2011032903-A1 PIPERAZINYL-ALKYL-BENZOIMIDAZOL-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-03-24 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-20120220604-A1 PIPERAZINYL-ALKYL-BENZOIMIDAZOL-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 HTR7 61/4885ADRA1D 71/4885ADRA1A 69/4885

“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.