SCHEMBL877190

SCHEMBL877190

COc1ccc(N2CCN(C(=O)Cc3nnc[nH]3)C(Cc3ccccc3)C2)cc1OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
ABCB1 P08183 2/20 0.38
HCRTR1 O43613 1/20 0.36
CCR5 P51681 1/20 0.35
CCR1 P32246 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
TRPC6 Q9Y210 1/20 0.35
CHRM4 P08173 1/20 0.35
MC4R P32245 2/20 0.35
MC3R P41968 2/20 0.35
MC1R Q01726 2/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ALK Q9UM73 2/20 0.34
PTGDR Q13258 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
SCHEMBL877189 1.00 NR1H2 (0.39) NR1H2NR1H3ABCB1HCRTR1CCR5
SCHEMBL877417 0.91 NR1H2 (0.40) NR1H2NR1H3ABCB1CCR1TRPC6
SCHEMBL877418 0.91 NR1H2 (0.40) NR1H2NR1H3ABCB1CCR1TRPC6
SCHEMBL876617 0.89 PDE4B (0.43) NR1H2NR1H3MC4RMC3RMC1R
SCHEMBL2143197 0.89 PDE4B (0.41) NR1H2NR1H3MC4RMC3RMC1R
SCHEMBL2143193 0.89 PDE4B (0.41) NR1H2NR1H3MC4RMC3RMC1R
SCHEMBL876618 0.89 PDE4B (0.43) NR1H2NR1H3MC4RMC3RMC1R
SCHEMBL877031 0.87 NR1H2 (0.38) NR1H2NR1H3ABCB1HCRTR1CCR5
SCHEMBL683345 0.87 NR1H2 (0.38) NR1H2NR1H3ABCB1HCRTR1CCR5
SCHEMBL877553 0.87 NR1H2 (0.38) NR1H2NR1H3ABCB1HCRTR1CCR5

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
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 1194/4885ABCB1 1641/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D NR1H2 835/4885NR1H3 1194/4885ABCB1 1641/4885

“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.