SCHEMBL873475

SCHEMBL873475

COc1ccc(N2CCNC(Cc3ccccc3)C2)cc1OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.41
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
HTR6 P50406 2/20 0.39
HCRTR1 O43613 1/20 0.39
KHK P50053 2/20 0.38
MEN1 O00255 1/20 0.38
APOBEC3A P31941 1/20 0.38
KMT2A Q03164 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
ADRB1 P08588 1/20 0.37
HIF1A Q16665 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HTR7 P34969 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
SCHEMBL681803 1.00 ABCB1 (0.41) ABCB1ADRA1DADRA1AADRA1BHTR6
SCHEMBL873409 0.92 ABCB1 (0.39) ABCB1HTR6KHKADRB1SLC6A2
SCHEMBL2138093 0.92 ABCB1 (0.39) ABCB1HTR6KHKADRB1SLC6A2
SCHEMBL682633 0.89 ABCB1 (0.38) ABCB1HTR6KHKTLR9TLR8
SCHEMBL2139007 0.89 ABCB1 (0.38) ABCB1HTR6KHKTLR9TLR8
SCHEMBL682892 0.86 PDE4A (0.43) ABCB1HTR6KHKDPP4
SCHEMBL2140024 0.86 PDE4A (0.43) ABCB1HTR6KHKDPP4
SCHEMBL682894 0.85 HIF1A (0.41) TLR9TLR8TLR7HIF1ADPP4
SCHEMBL874897 0.85 HIF1A (0.41) TLR9TLR8TLR7HIF1ADPP4
SCHEMBL682891 0.85 KHK (0.39) KHKADRB1SLC6A2SLC6A4SLC6A3

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
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 ABCB1 1641/4885ADRA1D 169/4885ADRA1A 97/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D ABCB1 1641/4885ADRA1D 169/4885ADRA1A 97/4885

“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.