SCHEMBL4084996

SCHEMBL4084996

COc1ccc2nc(-c3ccccc3Cl)nc(N3CCCC3)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.68
▸ CYP1A2 P05177 6/20 0.55
▸ CYP3A4 P08684 5/20 0.55
▸ CYP2D6 P10635 5/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ MAPT P10636 4/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ NPSR1 Q6W5P4 3/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ STAT6 P42226 1/20 0.54
▸ HIF1A Q16665 2/20 0.52
▸ LMNA P02545 3/20 0.51
▸ SMAD3 P84022 1/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.48
▸ NTSR1 P30989 2/20 0.48
▸ TSHR P16473 3/20 0.47
▸ USP2 O75604 2/20 0.47

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
SCHEMBL4098760 0.99 ABCB1 (0.67) ABCB1CYP1A2CYP3A4CYP2D6KMT2A
SCHEMBL4085214 0.91 CYP1A2 (0.59) ABCB1CYP1A2CYP3A4CYP2D6KMT2A
SCHEMBL4091007 0.90 ABCB1 (0.55) ABCB1CYP1A2CYP3A4CYP2D6KMT2A
SCHEMBL1083927 0.86 MAPT (0.68) ABCB1CYP1A2CYP3A4CYP2D6KMT2A
SCHEMBL1084335 0.86 SMAD3 (0.68) ABCB1KMT2AMAPTMEN1TDP1
SCHEMBL4100126 0.86 ABCB1 (0.64) ABCB1CYP1A2CYP3A4CYP2D6KMT2A
SCHEMBL4088971 0.85 ABCB1 (0.63) ABCB1CYP1A2CYP3A4CYP2D6KMT2A
SCHEMBL4091151 0.84 ABCB1 (0.76) ABCB1CYP1A2CYP3A4CYP2D6KMT2A
SCHEMBL4085061 0.83 MEN1 (0.53) ABCB1CYP1A2CYP3A4CYP2D6KMT2A
SCHEMBL4085728 0.82 ABCB1 (0.73) ABCB1CYP1A2CYP3A4CYP2D6KMT2A

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 ABCB1 2120/4885CYP1A2 2477/4885CYP3A4 2113/4885

“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.

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