SCHEMBL8405183

SCHEMBL8405183

CCc1cccc2c1CC1(CC1)O2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.36
ADRA1A P35348 3/20 0.36
ADRA1B P35368 3/20 0.36
CCR8 P51685 4/20 0.36
KCNH2 Q12809 4/20 0.36
ATM Q13315 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
MAOA P21397 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.32
TP53 P04637 1/20 0.32
ACACB O00763 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
SCHEMBL12808585 0.74 GABRA1 (0.32) CCR8KCNH2GABRA1GABRB2MAOA
SCHEMBL6836673 0.68 GABRA1 (0.33) CCR8KCNH2GABRA1GABRB2KDM4E
SCHEMBL22032186 0.67 SIGMAR1 (0.44) ADRA1DADRA1AADRA1BKCNH2ATM
SCHEMBL8405200 0.66 MTNR1B (0.52) GABRA1GABRB2KDM4E
SCHEMBL4233223 0.66 CCR8 (0.46) CCR8KCNH2KDM4E
SCHEMBL1077577 0.66 MAOA (0.53) GABRA1GABRB2MAOAHTTTP53
SCHEMBL20766461 0.65 CCR8 (0.47) CCR8KCNH2KDM4E
Xanthene SCHEMBL27903797 0.64 MAOA (0.57) GABRA1GABRB2MAOAHTTTP53
SCHEMBL24446032 0.64 GABRA1 (0.38) ADRA1AKCNH2GABRA1GABRB2DRD2
SCHEMBL19500892 0.64 GABRA1 (0.38) GABRA1GABRB2MAOATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20070203124-A1 Therapeutic Piperazines PDE4A, PDE4B, PDE12 ADRA1D 109/4885ADRA1A 98/4885ADRA1B 204/4885

“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.