SCHEMBL4090816

SCHEMBL4090816

CC(=O)N1CCN(c2nc(-c3ccccc3F)nc3ccccc23)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.68
GBA1 P04062 2/20 0.64
MAPT P10636 5/20 0.63
LMNA P02545 1/20 0.63
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP1A2 P05177 6/20 0.54
CYP3A4 P08684 6/20 0.54
CYP2D6 P10635 4/20 0.54
ALDH1A1 P00352 3/20 0.54
HSD17B10 Q99714 1/20 0.54
TSHR P16473 4/20 0.54
SMAD3 P84022 1/20 0.53
MAPK1 P28482 3/20 0.53
NCF1 P14598 2/20 0.51
CLK4 Q9HAZ1 3/20 0.50
USP2 O75604 2/20 0.50
ABCB1 P08183 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL4089767 0.89 GBA1 (0.60) HIF1AGBA1MAPTLMNAMEN1
SCHEMBL4099593 0.87 HIF1A (0.51) HIF1AGBA1MAPTLMNAMEN1
SCHEMBL4095191 0.87 MAPT (0.62) HIF1AGBA1MAPTLMNAMEN1
SCHEMBL4097324 0.86 ABCB1 (0.70) GBA1MAPTLMNAMEN1KMT2A
SCHEMBL1084085 0.86 MEN1 (0.67) HIF1AGBA1MAPTLMNAMEN1
SCHEMBL4095487 0.85 MAPT (0.63) HIF1AGBA1MAPTLMNAMEN1
SCHEMBL1084026 0.84 HIF1A (0.76) HIF1AGBA1MAPTLMNAMEN1
SCHEMBL4095765 0.84 MAPT (0.53) HIF1AGBA1MAPTLMNAMEN1
SCHEMBL4095774 0.83 GBA1 (0.61) GBA1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL1083814 0.82 HIF1A (0.97) HIF1AMAPTLMNAMEN1KMT2A

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 HIF1A 1496/4885GBA1 2059/4885MAPT 4125/4885

“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.