SCHEMBL873348

SCHEMBL873348

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
PTGDR Q13258 1/20 0.38
CCR5 P51681 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
ABCB1 P08183 2/20 0.38
PDE4B Q07343 2/20 0.38
ACHE P22303 1/20 0.37
ALK Q9UM73 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL682980 1.00 HCRTR1 (0.44) HCRTR1MEN1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL683311 0.94 HCRTR1 (0.45) HCRTR1MEN1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL874137 0.94 HCRTR1 (0.45) HCRTR1MEN1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL681914 0.93 NR1H2 (0.39) HCRTR1MEN1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL873476 0.93 NR1H2 (0.39) HCRTR1MEN1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL873845 0.91 HCRTR1 (0.41) HCRTR1MEN1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL682990 0.91 HCRTR1 (0.41) HCRTR1MEN1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL876615 0.88 PDE4B (0.44) MEN1KMT2ANR1H2NR1H3PDE4B
SCHEMBL683403 0.88 PDE4B (0.44) MEN1KMT2ANR1H2NR1H3PDE4B
SCHEMBL682796 0.88 PDE4A (0.40) MEN1KMT2AAPOBEC3AAPOBEC3GNR1H2

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 HCRTR1 225/4885MEN1 4385/4885KMT2A 2021/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D HCRTR1 225/4885MEN1 4385/4885KMT2A 2021/4885

“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.