SCHEMBL2139046

SCHEMBL2139046

COc1ccc(N2CCN(C(=O)Cc3ccccn3)C(Cc3ccccc3)C2)cc1OC(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC5A7 Q9GZV3 1/20 0.40
DPP4 P27487 1/20 0.39
CHRM4 P08173 2/20 0.39
ABCB1 P08183 2/20 0.39
CCR1 P32246 1/20 0.38
ALK Q9UM73 4/20 0.38
TRPC6 Q9Y210 1/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL683366 1.00 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10NR1H2
SCHEMBL682993 0.94 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10NR1H2
SCHEMBL2142200 0.94 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10NR1H2
SCHEMBL2137930 0.92 NR1H2 (0.43) KDM4EALDH1A1HPGDHSD17B10NR1H2
SCHEMBL681940 0.92 NR1H2 (0.43) KDM4EALDH1A1HPGDHSD17B10NR1H2
SCHEMBL682747 0.90 PDE4B (0.44) KDM4EALDH1A1HPGDHSD17B10NR1H2
SCHEMBL877074 0.90 CYP3A4 (0.43) KDM4EALDH1A1HPGDHSD17B10NR1H2
SCHEMBL2140445 0.90 PDE4B (0.44) KDM4EALDH1A1HPGDHSD17B10NR1H2
SCHEMBL877075 0.90 CYP3A4 (0.43) KDM4EALDH1A1HPGDHSD17B10NR1H2
SCHEMBL873450 0.88 NR1H2 (0.41) NR1H2NR1H3DPP4CHRM4ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US claimed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US claimed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US 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 KDM4E 1159/4885ALDH1A1 1228/4885HPGD 1811/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D KDM4E 1159/4885ALDH1A1 1228/4885HPGD 1811/4885

“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.