SCHEMBL873788

SCHEMBL873788

COc1ccc(N2CCN(C(=O)CC(=O)O)C(Cc3ccccc3)C2)cc1OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.44
NR1H3 Q13133 2/20 0.44
HCRTR1 O43613 1/20 0.42
CHRM4 P08173 3/20 0.41
ABCB1 P08183 2/20 0.40
MEN1 O00255 1/20 0.40
APOBEC3A P31941 1/20 0.40
KMT2A Q03164 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
PTGDR Q13258 2/20 0.40
CCR5 P51681 1/20 0.40
CCR1 P32246 1/20 0.39
ALK Q9UM73 2/20 0.38
HTR6 P50406 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38

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
SCHEMBL873399 1.00 NR1H2 (0.44) NR1H2NR1H3HCRTR1CHRM4ABCB1
SCHEMBL2142877 0.94 NR1H2 (0.43) NR1H2NR1H3HCRTR1CHRM4ABCB1
SCHEMBL873991 0.94 NR1H2 (0.43) NR1H2NR1H3HCRTR1CHRM4ABCB1
SCHEMBL683396 0.90 NR1H2 (0.46) NR1H2NR1H3HCRTR1CHRM4ABCB1
SCHEMBL2139740 0.90 NR1H2 (0.46) NR1H2NR1H3HCRTR1CHRM4ABCB1
SCHEMBL874468 0.89 NR1H2 (0.43) NR1H2NR1H3CHRM4ABCB1MEN1
SCHEMBL683023 0.87 NR1H2 (0.43) NR1H2NR1H3HCRTR1CHRM4ABCB1
SCHEMBL2138237 0.87 NR1H2 (0.43) NR1H2NR1H3HCRTR1CHRM4ABCB1
SCHEMBL882566 0.86 NR1H2 (0.43) NR1H2NR1H3CHRM4ABCB1MEN1
SCHEMBL683262 0.86 PDE4B (0.49) NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP disclosed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO 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.