SCHEMBL2138237

SCHEMBL2138237

COc1ccc(N2CCN(C(=O)Cc3ncccn3)C(Cc3ccccc3)C2)cc1OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43
CCR5 P51681 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TRPC6 Q9Y210 1/20 0.38
DPP4 P27487 1/20 0.38
ABCB1 P08183 3/20 0.38
HCRTR1 O43613 3/20 0.38
HCRTR2 O43614 2/20 0.38
ALK Q9UM73 3/20 0.38
MEN1 O00255 1/20 0.37
APOBEC3A P31941 1/20 0.37
KMT2A Q03164 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
PTGDR Q13258 1/20 0.37
CCR1 P32246 1/20 0.37
CHRM4 P08173 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
SCHEMBL683023 1.00 NR1H2 (0.43) NR1H2NR1H3CCR5KDM4EALDH1A1
SCHEMBL2137930 0.93 NR1H2 (0.43) NR1H2NR1H3KDM4EALDH1A1HPGD
SCHEMBL681940 0.93 NR1H2 (0.43) NR1H2NR1H3KDM4EALDH1A1HPGD
SCHEMBL682993 0.92 KDM4E (0.41) NR1H2NR1H3CCR5KDM4EALDH1A1
SCHEMBL2142200 0.92 KDM4E (0.41) NR1H2NR1H3CCR5KDM4EALDH1A1
SCHEMBL682585 0.88 PDE4B (0.44) NR1H2NR1H3KDM4EALDH1A1HPGD
SCHEMBL2134832 0.88 PDE4B (0.46) NR1H2NR1H3HCRTR1HCRTR2
SCHEMBL877437 0.88 PDE4B (0.44) NR1H2NR1H3KDM4EALDH1A1HPGD
SCHEMBL682749 0.88 PDE4B (0.46) NR1H2NR1H3HCRTR1HCRTR2
SCHEMBL683346 0.88 NR1H2 (0.41) NR1H2NR1H3CCR5TRPC6DPP4

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 NR1H2 835/4885NR1H3 1194/4885CCR5 101/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D NR1H2 835/4885NR1H3 1194/4885CCR5 101/4885

“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.