SCHEMBL4090937

SCHEMBL4090937

CN1CCN(c2nc(-c3ccc(F)c(F)c3)nc3ccccc23)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 10/20 0.67
CYP2D6 P10635 9/20 0.67
CYP1A2 P05177 9/20 0.67
ALDH1A1 P00352 4/20 0.67
CLK4 Q9HAZ1 4/20 0.67
USP2 O75604 3/20 0.67
HSD17B10 Q99714 3/20 0.67
CYP2C19 P33261 1/20 0.67
TSHR P16473 6/20 0.66
MAPK1 P28482 5/20 0.66
LMNA P02545 3/20 0.66
KDM4E B2RXH2 2/20 0.66
MAPT P10636 2/20 0.65
TP53 P04637 1/20 0.65
HPGD P15428 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
ROCK2 O75116 1/20 0.64
RAB9A P51151 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64

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
SCHEMBL4096827 0.89 ACP1 (0.70) ALDH1A1USP2HSD17B10TSHRMAPK1
SCHEMBL4084433 0.88 ACP1 (0.71) ALDH1A1USP2HSD17B10TSHRMAPK1
SCHEMBL1083917 0.86 TSHR (0.74) CYP3A4CYP2D6CYP1A2ALDH1A1CLK4
SCHEMBL4090305 0.85 HTT (0.66) CYP3A4CYP2D6CYP1A2ALDH1A1CLK4
SCHEMBL4095774 0.85 GBA1 (0.61) CYP3A4CYP2D6CYP1A2ALDH1A1CLK4
SCHEMBL6125247 0.84 TSHR (0.84) CYP3A4CYP2D6CYP1A2ALDH1A1CLK4
SCHEMBL1084030 0.84 ALDH1A1 (0.74) CYP3A4CYP2D6CYP1A2ALDH1A1CLK4
SCHEMBL1083792 0.84 TSHR (0.74) CYP3A4CYP2D6CYP1A2ALDH1A1CLK4
SCHEMBL1083852 0.82 TSHR (0.76) CYP3A4CYP2D6CYP1A2ALDH1A1CLK4
SCHEMBL4755891 0.82 LMNA (0.53) CYP3A4CYP2D6CYP1A2ALDH1A1CLK4

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 CYP3A4 2113/4885CYP2D6 3010/4885CYP1A2 2477/4885

“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.