SCHEMBL2138363

SCHEMBL2138363

COc1ccc(N2CCN(C(=O)Cc3n[nH]c(C)n3)C(CN3CCCC3)C2)cc1OC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 8/20 0.42
PDE4B Q07343 9/20 0.39
PDE4D Q08499 1/20 0.38
OPRM1 P35372 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
OPRD1 P41143 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL2138353 1.00 OPRK1 (0.42) OPRK1PDE4BPDE4DOPRM1CYP3A4
SCHEMBL877167 0.94 PDE4D (0.44) OPRK1PDE4BPDE4D
SCHEMBL877168 0.94 PDE4D (0.44) OPRK1PDE4BPDE4D
SCHEMBL2136806 0.89 PDE4B (0.41) PDE4BPDE4D
SCHEMBL682752 0.89 PDE4B (0.41) PDE4BPDE4D
SCHEMBL10267192 0.88 CTSB (0.44) PDE4BPDE4D
SCHEMBL683342 0.88 PDE4B (0.42) PDE4BPDE4D
SCHEMBL877637 0.88 PDE4B (0.42) PDE4BPDE4D
SCHEMBL877836 0.85 HCRTR1 (0.41) PDE4BPDE4DCYP3A4CYP2D6CYP2C19
SCHEMBL681973 0.85 HCRTR1 (0.41) PDE4BPDE4DCYP3A4CYP2D6CYP2C19

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 8 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
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 OPRK1 601/4885PDE4B 2/4885PDE4D 3/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D OPRK1 601/4885PDE4B 2/4885PDE4D 3/4885

“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.