SCHEMBL877084

SCHEMBL877084

Cc1n[nH]c(CC(=O)N2CCN(c3ccc(OC(F)F)c(OC(F)F)c3)CC2Cc2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
PDE4A P27815 4/20 0.35
PDE4B Q07343 4/20 0.35
PDE4C Q08493 4/20 0.35
PDE4D Q08499 4/20 0.35
DPP4 P27487 4/20 0.34
CCR1 P32246 1/20 0.34
DPP7 Q9UHL4 2/20 0.34
OPRK1 P41145 1/20 0.34
MC4R P32245 2/20 0.34
MC3R P41968 2/20 0.34
MC1R Q01726 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
CA9 Q16790 2/20 0.34
ALK Q9UM73 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CHRM4 P08173 1/20 0.33

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
SCHEMBL683019 1.00 NR1H2 (0.40) NR1H2NR1H3PDE4APDE4BPDE4C
SCHEMBL683345 0.90 NR1H2 (0.38) NR1H2NR1H3DPP4CCR1ALK
SCHEMBL877031 0.90 NR1H2 (0.38) NR1H2NR1H3DPP4CCR1ALK
SCHEMBL2139543 0.88 NR1H2 (0.39) NR1H2NR1H3PDE4BCCR1MC4R
SCHEMBL683393 0.88 NR1H2 (0.39) NR1H2NR1H3PDE4BCCR1MC4R
SCHEMBL682708 0.87 PDE4B (0.41) NR1H2NR1H3PDE4APDE4BPDE4C
SCHEMBL876544 0.87 PDE4B (0.41) NR1H2NR1H3PDE4APDE4BPDE4C
SCHEMBL683355 0.84 NR1H2 (0.40) NR1H2NR1H3DPP4CCR1ALK
SCHEMBL876882 0.84 NR1H2 (0.40) NR1H2NR1H3DPP4CCR1ALK
SCHEMBL2137756 0.82 PDE4D (0.41) NR1H2NR1H3PDE4APDE4BPDE4C

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-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
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 1194/4885PDE4A 1/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D NR1H2 835/4885NR1H3 1194/4885PDE4A 1/4885

“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.