SCHEMBL682680

SCHEMBL682680

COc1ccc(N2CCN(C(=O)c3c[nH]cn3)[C@@H](Cc3ccccc3)C2)cc1OC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.43
TRPC6 Q9Y210 2/20 0.43
ROCK2 O75116 1/20 0.42
PDE4A P27815 5/20 0.40
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39

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
SCHEMBL876996 1.00 PDE4B (0.43) PDE4BTRPC6ROCK2PDE4AHCRTR1
SCHEMBL874321 0.88 PDE4B (0.43) PDE4BROCK2PDE4ANR1H2NR1H3
SCHEMBL2138340 0.88 PDE4B (0.43) PDE4BROCK2PDE4ANR1H2NR1H3
SCHEMBL682560 0.87 PDE4B (0.44) PDE4BTRPC6ROCK2PDE4AHCRTR1
SCHEMBL878037 0.87 PDE4B (0.44) PDE4BTRPC6ROCK2PDE4AHCRTR1
SCHEMBL683333 0.87 PDE4B (0.41) PDE4BROCK2PDE4ANR1H2NR1H3
SCHEMBL877360 0.87 PDE4B (0.41) PDE4BROCK2PDE4ANR1H2NR1H3
SCHEMBL873257 0.85 PDE4B (0.51) PDE4BPDE4ANR1H2NR1H3PDE4C
SCHEMBL2141419 0.84 PDE4B (0.50) PDE4BPDE4ANR1H2NR1H3PDE4C
SCHEMBL682651 0.84 PDE4B (0.50) PDE4BPDE4ANR1H2NR1H3PDE4C

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 18 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-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
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

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 PDE4B 2/4885TRPC6 2804/4885ROCK2 132/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D PDE4B 2/4885TRPC6 2804/4885ROCK2 132/4885

“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.