SCHEMBL681746

SCHEMBL681746

CC(C)(C)c1cccc2c1CC1(CC1)O2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.38
CA2 P00918 1/20 0.35
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL18744648 0.77 CA2 (0.33) CA2GABRA1GABRB2
SCHEMBL12842827 0.74 CA2 (0.32) CA2
SCHEMBL8405183 0.72 ADRA1D (0.36) ATMGABRA1GABRB2
SCHEMBL682579 0.71
SCHEMBL15746208 0.69 KDM4E (0.33) ATM
SCHEMBL682571 0.66 CA2 (0.39) CA2
SCHEMBL27188251 0.65 PTGS1 (0.37) CA2
SCHEMBL19960999 0.65
SCHEMBL31515333 0.63 OPRD1 (0.41)
SCHEMBL22032186 0.63 SIGMAR1 (0.44) ATMTSHR

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 11 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-20140038945-A1 PIPERAZINE PDE4 INHIBITORS AND USES THEREOF DART NEUROSCIENCE (CAYMAN) LTD (KY) 2014-02-06 US disclosed
US-8501745-B2 Piperazine PDE4 inhibitors and uses thereof DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2013-08-06 US disclosed
US-8338405-B2 Therapeutic piperazines DART NEUROSCIENCE LLC (US) 2012-12-25 US disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US disclosed
US-20110065689-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US disclosed
US-20110065688-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE LLC 2011-03-17 US disclosed
US-7829713-B2 Therapeutic piperazines HELICON THERAPEUTICS, INC. (US) 2010-11-09 US disclosed
US-20070203124-A1 Therapeutic Piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2007-08-30 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 (6 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 ATM 1805/4885CA2 1564/4885GABRA1 1156/4885
US-20070203124-A1 Therapeutic Piperazines PDE4A, PDE4B, PDE12 ATM 2940/4885CA2 1141/4885GABRA1 1130/4885
US-20110065688-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE12 ATM 2940/4885CA2 1141/4885GABRA1 1130/4885
US-20110065689-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE12 ATM 2940/4885CA2 1141/4885GABRA1 1130/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D ATM 1805/4885CA2 1564/4885GABRA1 1156/4885
US-20140038945-A1 PIPERAZINE PDE4 INHIBITORS AND USES THEREOF PDE4A, PDE12, PDE4B ATM 1513/4885CA2 1130/4885GABRA1 1526/4885

“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.