SCHEMBL4101482

SCHEMBL4101482

CC1CCN(c2nc(-c3ccc(Cl)cc3)nc3ccccc23)CC1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.78
TSHR P16473 5/20 0.76
LMNA P02545 4/20 0.76
MAPT P10636 3/20 0.76
MEN1 O00255 2/20 0.76
USP2 O75604 2/20 0.76
KMT2A Q03164 2/20 0.76
HTT P42858 1/20 0.76
NPSR1 Q6W5P4 1/20 0.76
GBA1 P04062 2/20 0.61
ACP1 P24666 2/20 0.59
ABCG2 Q9UNQ0 2/20 0.57
HIF1A Q16665 1/20 0.56
MAPK1 P28482 2/20 0.55
HSD17B10 Q99714 1/20 0.55
KDM4E B2RXH2 2/20 0.55
ATM Q13315 1/20 0.55
ACHE P22303 1/20 0.54
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL1084059 0.91 LMNA (0.85) TP53TSHRLMNAMAPTMEN1
SCHEMBL1083809 0.88 TP53 (1.00) TP53TSHRLMNAMAPTMEN1
SCHEMBL1084186 0.85 ACP1 (0.81) TP53TSHRLMNAMAPTMEN1
SCHEMBL1084023 0.85 TP53 (0.74) TP53TSHRLMNAMAPTMEN1
SCHEMBL1083792 0.85 TSHR (0.74) TP53TSHRLMNAMAPTMEN1
SCHEMBL4085035 0.84 ACP1 (0.81) TP53TSHRLMNAMAPTMEN1
SCHEMBL4090141 0.84 ABCB1 (0.76) TP53TSHRLMNAMAPTMEN1
SCHEMBL1083989 0.82 HTT (0.74) TP53TSHRLMNAMAPTMEN1
SCHEMBL1083882 0.81 SMN1; SMN2 (0.76) TP53TSHRLMNAMAPTMEN1
SCHEMBL1083886 0.81 TSHR (0.83) TP53TSHRLMNAMAPTMEN1

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 5 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
US-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 US disclosed
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
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 TP53 4574/4885TSHR 3396/4885LMNA 2728/4885

“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.