SCHEMBL683071

SCHEMBL683071

COc1ccc(N2CCN(C(C)=O)[C@@H](Cc3ccccc3)C2)cc1O[C@H]1CCN(C)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.46
NR1H2 P55055 2/20 0.44
NR1H3 Q13133 2/20 0.44
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
KIT P10721 1/20 0.42
CHRM4 P08173 3/20 0.42
ACHE P22303 1/20 0.42
PDE4B Q07343 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
SLC6A4 P31645 1/20 0.40
HTR6 P50406 1/20 0.40

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
SCHEMBL2141244 1.00 ABCB1 (0.46) ABCB1NR1H2NR1H3HTR2CHTR2B
SCHEMBL682780 0.96 ABCB1 (0.46) ABCB1NR1H2NR1H3KITCHRM4
SCHEMBL874718 0.96 ABCB1 (0.46) ABCB1NR1H2NR1H3KITCHRM4
SCHEMBL2088855 0.91 PDE4B (0.50) ABCB1NR1H2NR1H3PDE4B
SCHEMBL682919 0.91 PDE4B (0.50) ABCB1NR1H2NR1H3PDE4B
SCHEMBL876732 0.85 NR1H2 (0.47) ABCB1NR1H2NR1H3CHRM4PDE4B
SCHEMBL682652 0.85 NR1H2 (0.47) ABCB1NR1H2NR1H3CHRM4PDE4B
SCHEMBL873257 0.84 PDE4B (0.51) NR1H2NR1H3PDE4B
SCHEMBL2137866 0.83 NR1H2 (0.39) NR1H2NR1H3HTR2CHTR2BKIT
SCHEMBL682789 0.83 NR1H2 (0.39) NR1H2NR1H3HTR2CHTR2BKIT

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-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-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-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
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US 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
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 ABCB1 1641/4885NR1H2 835/4885NR1H3 1194/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D ABCB1 1641/4885NR1H2 835/4885NR1H3 1194/4885

“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.