SCHEMBL4100471

SCHEMBL4100471

CC(C)(C)c1ccc2c(N3CCCC3)nc(Cl)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.56
HRH3 Q9Y5N1 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 1/20 0.54
TRPV1 Q8NER1 2/20 0.42
CNR2 P34972 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 1/20 0.39
MAT2A P31153 2/20 0.39
ABCB1 P08183 1/20 0.39
PRKDC P78527 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4092291 0.80 MEN1 (0.50) HRH4HRH3SMN1; SMN2TRPV1MEN1
SCHEMBL2726524 0.78 SMN1; SMN2 (0.56) HRH4HRH3SMN1; SMN2ALDH1A1PRKDC
SCHEMBL4095460 0.77 PAK4 (0.47) HRH4HRH3SMN1; SMN2ALDH1A1MEN1
SCHEMBL4084773 0.76 LMNA (0.58) HRH4HRH3SMN1; SMN2ALDH1A1MEN1
SCHEMBL4099846 0.76 HRH4 (0.40) HRH4HRH3ALDH1A1TRPV1MEN1
SCHEMBL20589186 0.75 SMN1; SMN2 (0.54) HRH4HRH3SMN1; SMN2ALDH1A1MEN1
SCHEMBL25529900 0.75 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1KMT2AHSD17B10
SCHEMBL8381868 0.74 L3MBTL1 (0.66) ALDH1A1MEN1KMT2ARAB9ATP53
SCHEMBL30774303 0.74 L3MBTL1 (0.66) ALDH1A1MEN1KMT2ARAB9ATP53
SCHEMBL20589391 0.74 SMN1; SMN2 (0.53) HRH4HRH3SMN1; SMN2ALDH1A1MEN1

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-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 US disclosed
WO-2008157500-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-12-24 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-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE CNR2, CNR1, GPR18 HRH4 14/4885HRH3 38/4885SMN1; SMN2 1281/4885

“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.