SCHEMBL874137

SCHEMBL874137

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.45
MEN1 O00255 1/20 0.41
APOBEC3A P31941 1/20 0.41
KMT2A Q03164 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
PTGDR Q13258 3/20 0.41
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
CCR5 P51681 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
ABCB1 P08183 2/20 0.38
PDE4B Q07343 1/20 0.38
ACHE P22303 1/20 0.38
LMNA P02545 1/20 0.38
ALK Q9UM73 1/20 0.38
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
SCHEMBL683311 1.00 HCRTR1 (0.45) HCRTR1MEN1APOBEC3AKMT2AAPOBEC3G
SCHEMBL682980 0.94 HCRTR1 (0.44) HCRTR1MEN1APOBEC3AKMT2AAPOBEC3G
SCHEMBL873348 0.94 HCRTR1 (0.44) HCRTR1MEN1APOBEC3AKMT2AAPOBEC3G
SCHEMBL873845 0.88 HCRTR1 (0.41) HCRTR1MEN1APOBEC3AKMT2AAPOBEC3G
SCHEMBL682990 0.88 HCRTR1 (0.41) HCRTR1MEN1APOBEC3AKMT2AAPOBEC3G
SCHEMBL683108 0.86 PDE4A (0.42) PTGDRNR1H2NR1H3PDE4B
SCHEMBL2139161 0.86 PDE4A (0.42) PTGDRNR1H2NR1H3PDE4B
SCHEMBL873476 0.86 NR1H2 (0.39) HCRTR1MEN1APOBEC3AKMT2AAPOBEC3G
SCHEMBL681914 0.86 NR1H2 (0.39) HCRTR1MEN1APOBEC3AKMT2AAPOBEC3G
SCHEMBL876832 0.86 PDE4B (0.47) PDE4B

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 7 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
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 HCRTR1 225/4885MEN1 4385/4885APOBEC3A 4473/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D HCRTR1 225/4885MEN1 4385/4885APOBEC3A 4473/4885

“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.