SCHEMBL2139740

SCHEMBL2139740

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.46
NR1H3 Q13133 2/20 0.46
ABCB1 P08183 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
HCRTR1 O43613 1/20 0.42
TRPC6 Q9Y210 1/20 0.41
CHRM4 P08173 3/20 0.40
MTNR1B P49286 1/20 0.40
PTGDR Q13258 1/20 0.39
CCR5 P51681 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL683396 1.00 NR1H2 (0.46) NR1H2NR1H3ABCB1MEN1KMT2A
SCHEMBL2142877 0.91 NR1H2 (0.43) NR1H2NR1H3ABCB1MEN1KMT2A
SCHEMBL873991 0.91 NR1H2 (0.43) NR1H2NR1H3ABCB1MEN1KMT2A
SCHEMBL873399 0.90 NR1H2 (0.44) NR1H2NR1H3ABCB1MEN1KMT2A
SCHEMBL873788 0.90 NR1H2 (0.44) NR1H2NR1H3ABCB1MEN1KMT2A
SCHEMBL683096 0.90 NR1H2 (0.44) NR1H2NR1H3ABCB1MEN1KMT2A
SCHEMBL876647 0.90 NR1H2 (0.44) NR1H2NR1H3ABCB1MEN1KMT2A
SCHEMBL876732 0.87 NR1H2 (0.47) NR1H2NR1H3ABCB1MEN1KMT2A
SCHEMBL682652 0.87 NR1H2 (0.47) NR1H2NR1H3ABCB1MEN1KMT2A
SCHEMBL682980 0.87 HCRTR1 (0.44) NR1H2NR1H3ABCB1MEN1KMT2A

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 5 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
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 1194/4885ABCB1 1641/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D NR1H2 835/4885NR1H3 1194/4885ABCB1 1641/4885

“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.