SCHEMBL2135884

SCHEMBL2135884

COc1ccc(N2CCN(CC(N)=O)C(Cc3ccccc3)C2)c2ccc(C)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.38
▸ HTR1D P28221 2/20 0.38
▸ HTR1B P28222 2/20 0.38
▸ SMPD3 Q9NY59 2/20 0.37
▸ RPS6KB1 P23443 2/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 1/20 0.35

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
SCHEMBL682654 1.00 HTR1A (0.38) HTR1AHTR1DHTR1BSMPD3RPS6KB1
SCHEMBL874749 0.93 HTR1A (0.38) HTR1AHTR1DHTR1BSMPD3HCRTR1
SCHEMBL682043 0.93 HTR1A (0.38) HTR1AHTR1DHTR1BSMPD3HCRTR1
SCHEMBL683051 0.92 HCRTR1 (0.37) RPS6KB1HCRTR1HCRTR2ADORA2AADORA1
SCHEMBL875420 0.91 ADORA2A (0.35) RPS6KB1ADORA2AADORA1KCNH2MEN1
SCHEMBL874625 0.91 ADORA2A (0.35) RPS6KB1ADORA2AADORA1KCNH2MEN1
SCHEMBL683055 0.91 ADORA2A (0.35) RPS6KB1ADORA2AADORA1KCNH2MEN1
SCHEMBL683047 0.91 ADORA2A (0.35) RPS6KB1ADORA2AADORA1KCNH2MEN1
SCHEMBL683405 0.90 HTR1A (0.38) HTR1AHTR1DHTR1BSMPD3HCRTR1
SCHEMBL682661 0.88 PDE4B (0.42) TSHR

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 HTR1A 491/4885HTR1D 594/4885HTR1B 611/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D HTR1A 491/4885HTR1D 594/4885HTR1B 611/4885

“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.

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