SCHEMBL876549

SCHEMBL876549

COc1ccc(N2CCN(C(=O)Cc3cn[nH]c3)C(Cc3ccc(F)cc3)C2)cc1OC1CCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
TRPC6 Q9Y210 1/20 0.39
ROCK2 O75116 6/20 0.38
FFAR4 Q5NUL3 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PDE4B Q07343 3/20 0.37
PDE4A P27815 1/20 0.37
CCR1 P32246 1/20 0.37
GFER P55789 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 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
SCHEMBL682775 1.00 HCRTR1 (0.39) HCRTR1HCRTR2TRPC6ROCK2FFAR4
SCHEMBL877001 0.92 ROCK2 (0.46) ROCK2PDE4BPDE4A
SCHEMBL682783 0.92 ROCK2 (0.46) ROCK2PDE4BPDE4A
SCHEMBL876775 0.91 ROCK2 (0.46) ROCK2PDE4BPDE4A
SCHEMBL683060 0.91 ROCK2 (0.46) ROCK2PDE4BPDE4A
SCHEMBL681978 0.86 HCRTR1 (0.40) HCRTR1HCRTR2TRPC6FFAR4PDE4B
SCHEMBL878088 0.86 HCRTR1 (0.40) HCRTR1HCRTR2TRPC6FFAR4PDE4B
SCHEMBL878268 0.85 PDE4B (0.45) HCRTR1HCRTR2TRPC6FFAR4PDE4B
SCHEMBL683387 0.85 PDE4B (0.45) HCRTR1HCRTR2TRPC6FFAR4PDE4B
SCHEMBL681973 0.84 HCRTR1 (0.41) HCRTR1HCRTR2TRPC6FFAR4PDE4B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HCRTR1 225/4885HCRTR2 514/4885TRPC6 2804/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D HCRTR1 225/4885HCRTR2 514/4885TRPC6 2804/4885

“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.