SCHEMBL4182006

SCHEMBL4182006

CC(C)c1cn2ccccc2c1Cc1ccc(OCCCNC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
POLB P06746 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HRH3 Q9Y5N1 5/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LTA4H P09960 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR1B P28222 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4179216 0.80 HRH3 (0.53) HRH3
SCHEMBL4167207 0.80 PPARG (0.40) KDM4EALDH1A1HRH3L3MBTL1TDP1
SCHEMBL8236467 0.79 POLB (0.39) ITGB3ITGA2BPOLBKDM4EALDH1A1
SCHEMBL4173331 0.79 HRH3 (0.62) HRH3LTA4HMEN1KMT2A
SCHEMBL4177653 0.78 HRH3 (0.52) HRH3
SCHEMBL4166038 0.76 DRD3 (0.53) HRH3TDP1MEN1KMT2A
SCHEMBL4167552 0.72 CYP3A4 (0.49) KDM4ETDP1MEN1HTTKMT2A
Hydrochloric Acid SCHEMBL9600346 0.69 POLB (0.40) ITGB3ITGA2BPOLBKDM4EALDH1A1
SCHEMBL7902910 0.68 KDM4E (0.38) ITGB3ITGA2BPOLBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL9265087 0.68 POLB (0.38) ITGB3ITGA2BPOLBKDM4EALDH1A1

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 ITGB3 3404/4885ITGA2B 3123/4885POLB 1867/4885

“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.