SCHEMBL877553

SCHEMBL877553

COc1ccc(N2CCN(C(=O)Cc3nc(N)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
TRPC6 Q9Y210 1/20 0.37
CCR5 P51681 1/20 0.36
ABCB1 P08183 2/20 0.36
HCRTR1 O43613 1/20 0.35
ALK Q9UM73 3/20 0.35
PTGDR Q13258 1/20 0.35
CCR1 P32246 1/20 0.35
IGF1R P08069 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
ROCK2 O75116 1/20 0.34
CHRM4 P08173 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

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
SCHEMBL683353 1.00 NR1H2 (0.38) NR1H2NR1H3TRPC6CCR5ABCB1
SCHEMBL877031 0.92 NR1H2 (0.38) NR1H2NR1H3TRPC6CCR5ABCB1
SCHEMBL683345 0.92 NR1H2 (0.38) NR1H2NR1H3TRPC6CCR5ABCB1
SCHEMBL877190 0.87 NR1H2 (0.39) NR1H2NR1H3TRPC6CCR5ABCB1
SCHEMBL877189 0.87 NR1H2 (0.39) NR1H2NR1H3TRPC6CCR5ABCB1
SCHEMBL683023 0.84 NR1H2 (0.43) NR1H2NR1H3TRPC6CCR5ABCB1
SCHEMBL2138237 0.84 NR1H2 (0.43) NR1H2NR1H3TRPC6CCR5ABCB1
SCHEMBL683346 0.84 NR1H2 (0.41) NR1H2NR1H3TRPC6CCR5ABCB1
SCHEMBL2139694 0.84 NR1H2 (0.41) NR1H2NR1H3TRPC6CCR5ABCB1
SCHEMBL2142877 0.84 NR1H2 (0.43) NR1H2NR1H3TRPC6CCR5ABCB1

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 1194/4885TRPC6 2804/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D NR1H2 835/4885NR1H3 1194/4885TRPC6 2804/4885

“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.