SCHEMBL4100233

SCHEMBL4100233

CN(CC1CC1)c1nc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
PDE5A O76074 3/20 0.52
CYP3A4 P08684 4/20 0.49
MAPT P10636 4/20 0.49
KDM4E B2RXH2 4/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2C9 P11712 3/20 0.49
TSHR P16473 3/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP2D6 P10635 3/20 0.49
HPGD P15428 3/20 0.49
GLA P06280 2/20 0.49
CYP2C19 P33261 2/20 0.49
HIF1A Q16665 2/20 0.49
LMNA P02545 2/20 0.49
RECQL P46063 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 1/20 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
SCHEMBL4090063 0.82 PDE5A (0.78) TP53SMN1; SMN2PDE5ACYP3A4MAPT
SCHEMBL13732933 0.79 GBA1 (0.65) TP53SMN1; SMN2PDE5ACYP3A4MAPT
SCHEMBL4090453 0.78 PDE5A (0.72) TP53SMN1; SMN2PDE5ACYP3A4MAPT
SCHEMBL22403111 0.77 GBA1 (0.74) TP53SMN1; SMN2PDE5AGBA1
SCHEMBL4096816 0.75 TP53 (0.61) TP53SMN1; SMN2PDE5ACYP3A4MAPT
SCHEMBL4085381 0.75 PDE5A (0.63) TP53SMN1; SMN2PDE5AMAPTKDM4E
SCHEMBL4094758 0.73 PDE5A (0.64) TP53SMN1; SMN2PDE5ACYP3A4MAPT
SCHEMBL16404334 0.72 CYP2D6 (0.87) TP53SMN1; SMN2PDE5ACYP3A4MAPT
SCHEMBL4095595 0.71 CYP1A2 (0.57) CYP3A4MAPTCYP1A2CYP2C9TSHR
SCHEMBL1084176 0.71 CYP2D6 (0.68) TP53SMN1; SMN2PDE5ACYP3A4MAPT

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 TP53 4574/4885SMN1; SMN2 1281/4885PDE5A 1861/4885

“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.