SCHEMBL683069

SCHEMBL683069

COc1ccc(N2CCN(S(N)(=O)=O)[C@@H](Cc3ccccc3)C2)c2ccc(C)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 6/20 0.36
▸ CA2 P00918 6/20 0.36
▸ CA4 P22748 4/20 0.35
▸ CA9 Q16790 4/20 0.35
▸ HTR1A P08908 2/20 0.35
▸ HTR1D P28221 2/20 0.35
▸ HTR1B P28222 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ADRA1D P25100 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ THPO P40225 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL2141037 0.88 PDE4B (0.40) CA1CA2CA4CA9TSHR
SCHEMBL2141030 0.88 PDE4B (0.40) CA1CA2CA4CA9TSHR
SCHEMBL878251 0.87 CA1 (0.33) CA1CA2CA4CA9TP53
SCHEMBL878250 0.87 CA1 (0.33) CA1CA2CA4CA9TP53
SCHEMBL682040 0.84 TP53 (0.39) HTR1AHTR1DHTR1BTP53GLA
SCHEMBL2135884 0.82 HTR1A (0.38) HTR1AHTR1DHTR1BCYP2C9TP53
SCHEMBL682654 0.82 HTR1A (0.38) HTR1AHTR1DHTR1BCYP2C9TP53
SCHEMBL682043 0.82 HTR1A (0.38) HTR1AHTR1DHTR1BCYP2C9TP53
SCHEMBL874749 0.82 HTR1A (0.38) HTR1AHTR1DHTR1BCYP2C9TP53
SCHEMBL683405 0.79 HTR1A (0.38) CA1CA2HTR1AHTR1DHTR1B

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 4 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 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 CA1 769/4885CA2 1564/4885CA4 406/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D CA1 769/4885CA2 1564/4885CA4 406/4885

“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.

Send feedback