SCHEMBL4090401

SCHEMBL4090401

CC(=O)N1CCN(c2nc(-c3ccc(Cl)cc3)nc3ccccc23)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 5/20 0.64
ABCG2 Q9UNQ0 3/20 0.60
ACP1 P24666 2/20 0.55
TSHR P16473 4/20 0.55
USP2 O75604 1/20 0.55
ALDH1A1 P00352 3/20 0.54
TP53 P04637 2/20 0.54
HSD17B10 Q99714 2/20 0.54
CYP1A2 P05177 1/20 0.54
ALOX15 P16050 1/20 0.54
CYP2C19 P33261 1/20 0.54
LMNA P02545 2/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPK1 P28482 2/20 0.54
ACHE P22303 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 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
SCHEMBL4084671 0.88 HDAC3 (0.54) GBA1ABCG2TSHRUSP2ALDH1A1
SCHEMBL4094693 0.86 MEN1 (0.72) GBA1ABCG2ACP1TSHRUSP2
SCHEMBL4096171 0.86 MEN1 (0.67) GBA1ABCG2TSHRTP53CYP1A2
SCHEMBL4095774 0.85 GBA1 (0.61) GBA1ABCG2ACP1TSHRUSP2
SCHEMBL4091214 0.84 GBA1 (0.60) GBA1ABCG2TSHRUSP2ALDH1A1
SCHEMBL1083792 0.84 TSHR (0.74) GBA1ABCG2ACP1TSHRUSP2
SCHEMBL4097324 0.84 ABCB1 (0.70) GBA1TSHRUSP2ALDH1A1TP53
SCHEMBL29157421 0.83 SIRT1 (0.62) GBA1ABCG2TSHRUSP2ALDH1A1
SCHEMBL1084186 0.82 ACP1 (0.81) GBA1ABCG2ACP1TSHRUSP2
SCHEMBL4085035 0.81 ACP1 (0.81) GBA1ABCG2ACP1TSHRUSP2

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 4 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

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 GBA1 2059/4885ABCG2 3127/4885ACP1 3504/4885

“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.