SCHEMBL877031

SCHEMBL877031

COc1ccc(N2CCN(C(=O)Cc3nc(C)n[nH]3)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
CCR5 P51681 1/20 0.36
CCR1 P32246 1/20 0.36
ABCB1 P08183 2/20 0.36
HCRTR1 O43613 1/20 0.35
ALK Q9UM73 2/20 0.35
PTGDR Q13258 1/20 0.35
MEN1 O00255 1/20 0.35
APOBEC3A P31941 1/20 0.35
KMT2A Q03164 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
CHRM4 P08173 2/20 0.34
TRPC6 Q9Y210 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL683345 1.00 NR1H2 (0.38) NR1H2NR1H3CCR5CCR1ABCB1
SCHEMBL877553 0.92 NR1H2 (0.38) NR1H2NR1H3CCR5CCR1ABCB1
SCHEMBL683353 0.92 NR1H2 (0.38) NR1H2NR1H3CCR5CCR1ABCB1
SCHEMBL2139543 0.91 NR1H2 (0.39) NR1H2NR1H3CCR1ABCB1HCRTR1
SCHEMBL683393 0.91 NR1H2 (0.39) NR1H2NR1H3CCR1ABCB1HCRTR1
SCHEMBL877084 0.90 NR1H2 (0.40) NR1H2NR1H3CCR1ALKCHRM4
SCHEMBL683019 0.90 NR1H2 (0.40) NR1H2NR1H3CCR1ALKCHRM4
SCHEMBL682708 0.89 PDE4B (0.41) NR1H2NR1H3CCR1
SCHEMBL876544 0.89 PDE4B (0.41) NR1H2NR1H3CCR1
SCHEMBL877190 0.87 NR1H2 (0.39) NR1H2NR1H3CCR5CCR1ABCB1

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 12 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
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 1194/4885CCR5 101/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D NR1H2 835/4885NR1H3 1194/4885CCR5 101/4885

“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.