SCHEMBL874468

SCHEMBL874468

COc1ccc(N2CCN(C(=O)CC(=O)O)[C@@H](Cc3ccccc3)C2)cc1OCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43
KMT2A Q03164 2/20 0.41
CHRM4 P08173 3/20 0.41
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
ABCB1 P08183 1/20 0.39
CCR1 P32246 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TRPC6 Q9Y210 1/20 0.38
ALOX15 P16050 1/20 0.38
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
PDE4B Q07343 1/20 0.37
PTGDR Q13258 1/20 0.37
ALK Q9UM73 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
SCHEMBL873788 0.89 NR1H2 (0.44) NR1H2NR1H3KMT2ACHRM4ABCB1
SCHEMBL873399 0.89 NR1H2 (0.44) NR1H2NR1H3KMT2ACHRM4ABCB1
SCHEMBL882637 0.85 PDE4B (0.47) NR1H2NR1H3CHRM4PDE4B
SCHEMBL2135324 0.85 PDE4B (0.47) NR1H2NR1H3CHRM4PDE4B
SCHEMBL683262 0.85 PDE4B (0.49) NR1H2NR1H3PDE4B
SCHEMBL873407 0.85 PDE4B (0.49) NR1H2NR1H3PDE4B
SCHEMBL2142877 0.83 NR1H2 (0.43) NR1H2NR1H3KMT2ACHRM4ABCB1
SCHEMBL873991 0.83 NR1H2 (0.43) NR1H2NR1H3KMT2ACHRM4ABCB1
SCHEMBL882566 0.81 NR1H2 (0.43) NR1H2NR1H3KMT2ACHRM4ABCB1
SCHEMBL875123 0.81 NR1H2 (0.43) NR1H2NR1H3KMT2ACHRM4ABCB1

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 6 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 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 1194/4885KMT2A 2021/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D NR1H2 835/4885NR1H3 1194/4885KMT2A 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.