SCHEMBL4091890

SCHEMBL4091890

Clc1ccc(-c2nc(N3CCSCC3)c3cc(Cl)ccc3n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.57
CYP1A2 P05177 3/20 0.57
CYP2C9 P11712 3/20 0.57
CYP2C19 P33261 3/20 0.57
POLB P06746 1/20 0.57
ALDH1A1 P00352 1/20 0.57
ABCG2 Q9UNQ0 3/20 0.50
EGLN1 Q9GZT9 2/20 0.50
GBA1 P04062 5/20 0.49
HDAC3 O15379 1/20 0.46
MTOR P42345 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PIK3CA P42336 1/20 0.45
ACP1 P24666 2/20 0.45
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL4095231 0.88 ACP1 (0.58) NPSR1CYP2C9ALDH1A1ABCG2EGLN1
SCHEMBL4084360 0.84 EGLN1 (0.52) NPSR1CYP1A2CYP2C9CYP2C19POLB
SCHEMBL4095097 0.84 HDAC3 (0.62) NPSR1CYP1A2CYP2C19ALDH1A1ABCG2
SCHEMBL7267753 0.83 NPSR1 (0.63) NPSR1CYP1A2CYP2C9CYP2C19POLB
SCHEMBL4090221 0.83 ABCB1 (0.60) NPSR1CYP1A2CYP2C9CYP2C19POLB
SCHEMBL1084302 0.81 MAPT (0.62) NPSR1CYP1A2CYP2C9CYP2C19POLB
SCHEMBL4084671 0.79 HDAC3 (0.54) NPSR1ALDH1A1ABCG2GBA1HDAC3
SCHEMBL4755939 0.78 ABCG2 (0.50) ALDH1A1ABCG2EGLN1GBA1HDAC3
SCHEMBL4092114 0.78 MEN1 (0.57) NPSR1CYP2C9ABCG2GBA1HDAC3
SCHEMBL3979597 0.77 ABCG2 (0.63) ABCG2GBA1HDAC3MTORHDAC1

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 NPSR1 308/4885CYP1A2 2477/4885CYP2C9 1890/4885

“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.