SCHEMBL873476

SCHEMBL873476

COc1ccc(N2CCN(CC(N)=O)C(Cc3ccccc3)C2)cc1OC(F)F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.39
NR1H3 Q13133 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
ALK Q9UM73 2/20 0.38
CHRM4 P08173 2/20 0.38
HCRTR1 O43613 1/20 0.37
ACHE P22303 1/20 0.37
ABCB1 P08183 1/20 0.37
LMNA P02545 1/20 0.37
TACR1 P25103 1/20 0.37
POLB P06746 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
SCHEMBL681914 1.00 NR1H2 (0.39) NR1H2NR1H3MEN1KMT2AAPOBEC3A
SCHEMBL2142566 0.95 PDE4A (0.40) NR1H2NR1H3MEN1KMT2AAPOBEC3A
SCHEMBL682796 0.95 PDE4A (0.40) NR1H2NR1H3MEN1KMT2AAPOBEC3A
SCHEMBL682980 0.93 HCRTR1 (0.44) NR1H2NR1H3MEN1KMT2AAPOBEC3A
SCHEMBL873348 0.93 HCRTR1 (0.44) NR1H2NR1H3MEN1KMT2AAPOBEC3A
SCHEMBL683403 0.90 PDE4B (0.44) NR1H2NR1H3MEN1KMT2AACHE
SCHEMBL876615 0.90 PDE4B (0.44) NR1H2NR1H3MEN1KMT2AACHE
SCHEMBL2137979 0.88 PDE4D (0.49)
SCHEMBL683404 0.88 PDE4D (0.49)
SCHEMBL681920 0.88 PDE4D (0.47) NR1H2NR1H3

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 9 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
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 NR1H2 835/4885NR1H3 1194/4885MEN1 4385/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D NR1H2 835/4885NR1H3 1194/4885MEN1 4385/4885

“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.