SCHEMBL131273

SCHEMBL131273

FC(F)Oc1ccc(Br)cc1OC1CCC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.50
PDE4B Q07343 7/20 0.50
PDE4D Q08499 7/20 0.50
PDE4C Q08493 6/20 0.50
SLC6A4 P31645 5/20 0.46
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
HTR6 P50406 2/20 0.42

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
SCHEMBL681776 0.97 PDE4B (0.53) PDE4APDE4BPDE4DPDE4CSLC6A4
SCHEMBL127226 0.93 SLC6A4 (0.48) PDE4APDE4BPDE4DPDE4CSLC6A4
SCHEMBL20063995 0.82 PDE4D (0.51) PDE4APDE4BPDE4DPDE4C
SCHEMBL20064317 0.81 PDE4D (0.53) PDE4APDE4BPDE4DPDE4C
SCHEMBL682486 0.80 MAPK1 (0.43) PDE4APDE4BPDE4DPDE4CSLC6A4
SCHEMBL130569 0.80 PDE4A (0.55) PDE4APDE4BPDE4DPDE4CNPY1R
SCHEMBL5759440 0.78 PDE4D (0.51) PDE4APDE4BPDE4DPDE4C
SCHEMBL20064209 0.78 PDE4A (0.54) PDE4APDE4BPDE4DPDE4C
SCHEMBL5881031 0.78 FPR2 (0.47) SLC6A4NPY1RNPY2RHTR6
SCHEMBL20064142 0.78 PDE4B (0.47) PDE4APDE4BPDE4DPDE4C

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 19 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-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-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
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
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO disclosed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP 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
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP 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 (3 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 PDE4A 1/4885PDE4B 2/4885PDE4D 3/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 PDE4A 3035/4885PDE4B 3261/4885PDE4D 3827/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D PDE4A 1/4885PDE4B 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.