SCHEMBL1494040

SCHEMBL1494040

C=C(C)n1c(=O)n(CCN2CCN(c3ccc4cc[nH]c4c3)CC2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.45
OPRM1 P35372 4/20 0.45
TACR1 P25103 3/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1B P35368 1/20 0.40
ABCB11 O95342 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD1 P21728 1/20 0.39
TBXA2R P21731 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL1494387 0.93 HTR7 (0.44) HTR7OPRM1TACR1MEN1KMT2A
SCHEMBL1494526 0.83 HTR7 (0.46) HTR7OPRM1TACR1MEN1KMT2A
SCHEMBL1186148 0.82 ADRA1D (0.58) HTR7OPRM1TACR1MEN1KMT2A
SCHEMBL1494352 0.82 HTR7 (0.46) HTR7OPRM1TACR1MEN1KMT2A
SCHEMBL1185948 0.81 TACR1 (0.54) HTR7OPRM1TACR1MEN1KMT2A
SCHEMBL1186118 0.78 TACR1 (0.51) HTR7OPRM1TACR1MEN1KMT2A
SCHEMBL21669397 0.78 HTR1A (0.61) HTR7OPRM1TACR1ALDH1A1ADRA1A
Fumaric Acid SCHEMBL1185462 0.77 TACR1 (0.55) HTR7OPRM1TACR1KDM4EALDH1A1
SCHEMBL1492422 0.76 HTR7 (0.49) HTR7OPRM1KDM4EALDH1A1MAPT
Fumaric Acid SCHEMBL1186320 0.76 TACR1 (0.52) HTR7OPRM1TACR1ALDH1A1MAPT

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 61/4885OPRM1 104/4885TACR1 108/4885

“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.