SCHEMBL877411

SCHEMBL877411

COc1ccc(N2CCN(C(=O)Cc3n[nH]c([N+](=O)[O-])n3)C(Cc3ccccc3)C2)cc1OC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
HCRTR1 O43613 1/20 0.35
CCR5 P51681 3/20 0.35
PTGDR Q13258 2/20 0.35
KMT2A Q03164 2/20 0.34
HTR1A P08908 2/20 0.34
HTR1D P28221 2/20 0.34
HTR1B P28222 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ABCB1 P08183 2/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
MEN1 O00255 1/20 0.34
ALK Q9UM73 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
EGFR P00533 1/20 0.34
CCR1 P32246 1/20 0.33

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
SCHEMBL683021 1.00 NR1H2 (0.38) NR1H2NR1H3HCRTR1CCR5PTGDR
SCHEMBL682987 0.90 PDE4B (0.39) NR1H2NR1H3HCRTR1
SCHEMBL683338 0.90 PDE4B (0.40) NR1H2NR1H3
SCHEMBL876994 0.90 PDE4B (0.40) NR1H2NR1H3
SCHEMBL2137872 0.90 PDE4B (0.39) NR1H2NR1H3HCRTR1
SCHEMBL877423 0.86 PDE4B (0.36) NR1H2NR1H3HCRTR1KMT2A
SCHEMBL683355 0.85 NR1H2 (0.40) NR1H2NR1H3ALDH1A1ABCB1ALK
SCHEMBL876882 0.85 NR1H2 (0.40) NR1H2NR1H3ALDH1A1ABCB1ALK
SCHEMBL683023 0.85 NR1H2 (0.43) NR1H2NR1H3HCRTR1CCR5PTGDR
SCHEMBL2138237 0.85 NR1H2 (0.43) NR1H2NR1H3HCRTR1CCR5PTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US claimed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US claimed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US claimed
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP claimed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO claimed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US claimed
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US disclosed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US 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 (2 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-20150087645-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D NR1H2 835/4885NR1H3 1194/4885HCRTR1 225/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D NR1H2 835/4885NR1H3 1194/4885HCRTR1 225/4885

“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.