SCHEMBL1186148

SCHEMBL1186148

C=C(C)n1c(=O)n(CCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.58
ADRA1A P35348 3/20 0.58
ADRA1B P35368 3/20 0.58
TACR1 P25103 3/20 0.57
OPRM1 P35372 3/20 0.57
HTR7 P34969 6/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTR1A P08908 3/20 0.46
DRD2 P14416 3/20 0.46
HTR2A P28223 2/20 0.46
HTR6 P50406 2/20 0.46
DRD1 P21728 1/20 0.45
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
ATM Q13315 1/20 0.43

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
Fumaric Acid SCHEMBL1185462 0.94 TACR1 (0.55) ADRA1DADRA1AADRA1BTACR1OPRM1
SCHEMBL1186118 0.89 TACR1 (0.51) ADRA1DADRA1AADRA1BTACR1OPRM1
SCHEMBL1185948 0.88 TACR1 (0.54) TACR1OPRM1HTR7MEN1KMT2A
Fumaric Acid SCHEMBL1185797 0.85 TACR1 (0.49) ADRA1DADRA1AADRA1BTACR1OPRM1
Fumaric Acid SCHEMBL1186320 0.83 TACR1 (0.52) TACR1OPRM1HTR7MEN1KMT2A
SCHEMBL1494352 0.83 HTR7 (0.46) ADRA1DADRA1AADRA1BTACR1OPRM1
SCHEMBL1494526 0.83 HTR7 (0.46) ADRA1DADRA1AADRA1BTACR1OPRM1
SCHEMBL1494040 0.82 HTR7 (0.45) ADRA1DADRA1AADRA1BTACR1OPRM1
SCHEMBL1494387 0.81 HTR7 (0.44) TACR1OPRM1HTR7MEN1KMT2A
SCHEMBL21669397 0.81 HTR1A (0.61) ADRA1DADRA1AADRA1BTACR1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028490-A1 4-PHENYL-PIPERAZIN-1-YL-ALKYL-BENZOIMIDAZOL-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE IN-HIBITORS NEUROSEARCH A/S (DK) 2011-02-03 US claimed
EP-2238117-A1 4-PHENYL-PIPERAZIN-1-YL-ALKYL-BENZOIMIDAZOL-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2010-10-13 EP claimed
WO-2009092720-A1 4-PHENYL-PIPERAZIN-1-YL-ALKYL-BENZOIMIDAZOL-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-07-30 WO claimed
US-20110028490-A1 4-PHENYL-PIPERAZIN-1-YL-ALKYL-BENZOIMIDAZOL-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE IN-HIBITORS NEUROSEARCH A/S (DK) 2011-02-03 US disclosed
EP-2238117-A1 4-PHENYL-PIPERAZIN-1-YL-ALKYL-BENZOIMIDAZOL-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2010-10-13 EP disclosed
WO-2009092720-A1 4-PHENYL-PIPERAZIN-1-YL-ALKYL-BENZOIMIDAZOL-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-07-30 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-20110028490-A1 4-PHENYL-PIPERAZIN-1-YL-ALKYL-BENZOIMIDAZOL-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE IN-HIBITORS SLC18A2, SLC6A2, SLC18A3 ADRA1D 123/4885ADRA1A 85/4885ADRA1B 83/4885

“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.