SCHEMBL877001

SCHEMBL877001

COc1ccc(N2CCN(C(=O)Cc3cn[nH]c3)C(Cc3ccccc3)C2)cc1OC1CCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.46
PDE4B Q07343 10/20 0.42
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
MC4R P32245 2/20 0.39
MC3R P41968 2/20 0.39
MC1R Q01726 2/20 0.39
PDE4A P27815 5/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
SLC6A9 P48067 1/20 0.38
DAGLB Q8NCG7 1/20 0.37

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
SCHEMBL682783 1.00 ROCK2 (0.46) ROCK2PDE4BNR1H2NR1H3MC4R
SCHEMBL683060 0.98 ROCK2 (0.46) ROCK2PDE4BNR1H2NR1H3MC4R
SCHEMBL876775 0.98 ROCK2 (0.46) ROCK2PDE4BNR1H2NR1H3MC4R
SCHEMBL682775 0.92 HCRTR1 (0.39) ROCK2PDE4BPDE4A
SCHEMBL876549 0.92 HCRTR1 (0.39) ROCK2PDE4BPDE4A
SCHEMBL683012 0.88 PDE4B (0.42) ROCK2PDE4BNR1H2NR1H3MC4R
SCHEMBL877038 0.88 PDE4B (0.42) ROCK2PDE4BNR1H2NR1H3MC4R
SCHEMBL682632 0.87 PDE4B (0.42) PDE4BNR1H2NR1H3MC4RMC3R
SCHEMBL877762 0.87 PDE4B (0.42) PDE4BNR1H2NR1H3MC4RMC3R
SCHEMBL877368 0.86 PDE4B (0.44) PDE4BNR1H2NR1H3MC4RMC3R

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
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
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP disclosed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO 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 ROCK2 132/4885PDE4B 2/4885NR1H2 835/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D ROCK2 132/4885PDE4B 2/4885NR1H2 835/4885

“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.