SCHEMBL2139357

SCHEMBL2139357

O=C(Cc1ncccn1)N1CCN(c2ccc(OC(F)F)c(OC3CCC3)c2)CC1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.45
PDE4A P27815 11/20 0.45
PDE4B Q07343 10/20 0.45
PDE4C Q08493 10/20 0.45
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
MC4R P32245 2/20 0.38
MC3R P41968 2/20 0.38
MC1R Q01726 2/20 0.38
TACR1 P25103 1/20 0.36
OPRK1 P41145 1/20 0.35

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
SCHEMBL682994 1.00 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CNR1H2
SCHEMBL877437 0.91 PDE4B (0.44) PDE4DPDE4APDE4BPDE4CNR1H2
SCHEMBL682585 0.91 PDE4B (0.44) PDE4DPDE4APDE4BPDE4CNR1H2
SCHEMBL2134832 0.89 PDE4B (0.46) PDE4DPDE4APDE4BPDE4CNR1H2
SCHEMBL2137930 0.89 NR1H2 (0.43) NR1H2NR1H3
SCHEMBL681940 0.89 NR1H2 (0.43) NR1H2NR1H3
SCHEMBL682749 0.89 PDE4B (0.46) PDE4DPDE4APDE4BPDE4CNR1H2
SCHEMBL682717 0.87 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CNR1H2
SCHEMBL2137756 0.87 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CNR1H2
SCHEMBL2137540 0.87 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CNR1H2

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 PDE4D 3/4885PDE4A 1/4885PDE4B 2/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D PDE4D 3/4885PDE4A 1/4885PDE4B 2/4885

“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.