SCHEMBL4166038

SCHEMBL4166038

CC(C)c1cn2ccccc2c1Cc1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.53
DRD2 P14416 6/20 0.53
HTR1A P08908 5/20 0.53
HTR2A P28223 5/20 0.53
HRH1 P35367 4/20 0.53
TMEM97 Q5BJF2 3/20 0.53
SIGMAR1 Q99720 3/20 0.53
HRH3 Q9Y5N1 8/20 0.53
HTR7 P34969 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH2 P25021 1/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
DRD1 P21728 1/20 0.44
DRD5 P21918 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL4173331 0.89 HRH3 (0.62) HRH3MEN1KMT2A
SCHEMBL4159411 0.81 DRD2 (0.50) DRD3DRD2HTR1AHTR2AHRH1
SCHEMBL4182006 0.76 ITGB3 (0.40) HRH3MEN1KMT2ATDP1
SCHEMBL4177653 0.74 HRH3 (0.52) HRH3
SCHEMBL4167207 0.70 PPARG (0.40) HRH3MEN1CYP1A2CYP3A4MAPT
SCHEMBL8237641 0.70 HRH3 (0.56) HRH3MEN1KMT2A
SCHEMBL8236454 0.70 HRH3 (0.56) HRH3MEN1KMT2A
SCHEMBL4167552 0.69 CYP3A4 (0.49) DRD3DRD2HTR1AHTR2AADRA1A
SCHEMBL9598357 0.69 TDP1 (0.46) HRH1HRH3MEN1MAPTMAPK1
SCHEMBL13438321 0.69 HRH1 (0.71) DRD3DRD2HTR1AHTR2AHRH1

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-20090017112-A1 Compounds for Inhibiting Beta-Amyloid Production ROSKAMP RESEARCH LLC (US) 2009-01-15 US disclosed
EP-1993548-A2 COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION Roskamp Research LLC (US) 2008-11-26 EP disclosed
WO-2007103683-A2 COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ROSKAMP RESEARCH LLC (US) 2007-09-13 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-20090017112-A1 Compounds for Inhibiting Beta-Amyloid Production PSEN1, PSEN2, APP DRD3 4679/4885DRD2 4522/4885HTR1A 2207/4885

“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.