SCHEMBL2138355

SCHEMBL2138355

O=C(Cc1nnc[nH]1)N1CCN(c2ccc(OC(F)F)c(OC3CCC3)c2)CC1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.42
PDE4B Q07343 10/20 0.42
PDE4A P27815 9/20 0.42
PDE4C Q08493 9/20 0.42
MC3R P41968 3/20 0.38
MC1R Q01726 3/20 0.38
MC4R P32245 2/20 0.38
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
MC5R P33032 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
SCHEMBL2138348 1.00 PDE4D (0.42) PDE4DPDE4BPDE4APDE4CMC3R
SCHEMBL2143193 0.92 PDE4B (0.41) PDE4DPDE4BPDE4APDE4CMC3R
SCHEMBL2143197 0.92 PDE4B (0.41) PDE4DPDE4BPDE4APDE4CMC3R
SCHEMBL876617 0.90 PDE4B (0.43) PDE4DPDE4BPDE4APDE4CMC3R
SCHEMBL876618 0.90 PDE4B (0.43) PDE4DPDE4BPDE4APDE4CMC3R
SCHEMBL877418 0.88 NR1H2 (0.40) PDE4BMC3RMC1RMC4RNR1H2
SCHEMBL877417 0.88 NR1H2 (0.40) PDE4BMC3RMC1RMC4RNR1H2
SCHEMBL2139357 0.85 PDE4D (0.45) PDE4DPDE4BPDE4APDE4CMC3R
SCHEMBL682994 0.85 PDE4D (0.45) PDE4DPDE4BPDE4APDE4CMC3R
SCHEMBL2137540 0.85 PDE4D (0.42) PDE4DPDE4BPDE4APDE4CMC3R

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