SCHEMBL7996883

SCHEMBL7996883

CC(C)N1CCC(c2ncc[nH]2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 5/20 0.45
ADRA1A P35348 5/20 0.44
HRH3 Q9Y5N1 2/20 0.40
PARP1 P09874 4/20 0.40
PARP2 Q9UGN5 1/20 0.40
KDM4A O75164 1/20 0.37
KDM4B O94953 1/20 0.37
KDM5C P41229 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
ADRA2A P08913 2/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1B P35368 1/20 0.37
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
F10 P00742 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
SCHEMBL10851083 0.83 HTR2B (0.42) HTR2BADRA1AADRA2AF10
SCHEMBL5255708 0.81 ADRA1A (0.51) HTR2BADRA1AADRA2AADRA1DADRA1B
SCHEMBL196337 0.78
SCHEMBL7983041 0.77 HTR2B (0.45) HTR2BADRA1AHRH3KDM4AKDM4B
SCHEMBL8077368 0.76 ADRA1A (0.46) HTR2BADRA1AADRA2AADRA1DADRA1B
SCHEMBL7809418 0.74 ADRA1A (0.52) HTR2BADRA1AADRA2AADRA1DADRA1B
SCHEMBL4585762 0.74 ADRA1A (0.52) HTR2BADRA1AADRA2AADRA1DADRA1B
SCHEMBL184451 0.74 ADRA1A (0.55) HTR2BADRA1AADRA2AADRA1DADRA1B
SCHEMBL1494449 0.74
SCHEMBL18057110 0.73 HRH3 (0.43) HRH3PARP1PARP2KDM4AKDM4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200316032-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING RETINAL PIGMENT EPITHELIUM DEGENERATION AND METHODS USING THE SAME THE SCHEPENS EYE RESEARCH, INSTITUTE, INC. 2020-10-08 US disclosed
WO-2018067615-A1 COMPOUNDS, DEVICES, AND USES THEREOF SIGILON THERAPEUTICS, INC. (US) 2018-04-12 WO disclosed
WO-2001057038-A9 HETEROCYCLIC COMPOUNDS AND THEIR USE AS PARP INHIBITORS BASF AG (DE) 2001-09-20 WO 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-20200316032-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING RETINAL PIGMENT EPITHELIUM DEGENERATION AND METHODS USING THE SAME ALDH1A2, RBP4, RBP1 HTR2B 4175/4885ADRA1A 3423/4885HRH3 4386/4885

“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.