SCHEMBL4092375

SCHEMBL4092375

c1ccc2c(N3CCOCC3)nc(C3CCCCC3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.62
KDM4E B2RXH2 5/20 0.62
MAPT P10636 2/20 0.59
HPGD P15428 5/20 0.59
GLA P06280 1/20 0.59
GAA P10253 1/20 0.59
NTSR1 P30989 2/20 0.58
GBA1 P04062 2/20 0.55
HTT P42858 4/20 0.53
LMNA P02545 4/20 0.53
MAPK1 P28482 4/20 0.52
CYP1A2 P05177 3/20 0.52
CYP3A4 P08684 3/20 0.52
ALOX15 P16050 3/20 0.52
USP2 O75604 2/20 0.52
TSHR P16473 2/20 0.52
CLK4 Q9HAZ1 2/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
CASP7 P55210 1/20 0.52

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
SCHEMBL4089431 0.99 KDM4E (0.61) ALDH1A1KDM4EMAPTHPGDGLA
SCHEMBL4090824 0.89 NTSR1 (0.62) ALDH1A1KDM4EMAPTHPGDGLA
SCHEMBL4259838 0.89 NTSR1 (0.62) ALDH1A1KDM4EMAPTHPGDGLA
SCHEMBL4097329 0.89 NTSR1 (0.62) ALDH1A1KDM4EMAPTHPGDGLA
SCHEMBL4089263 0.88 NTSR1 (0.64) ALDH1A1KDM4EMAPTHPGDGLA
SCHEMBL4091432 0.84 NTSR1 (0.64) ALDH1A1KDM4ENTSR1GBA1LMNA
SCHEMBL4085145 0.83 NTSR1 (0.65) ALDH1A1KDM4ENTSR1GBA1LMNA
SCHEMBL4084654 0.83 PRKDC (0.47) ALDH1A1KDM4EMAPTGAANTSR1
SCHEMBL11738520 0.76 ALDH1A1 (0.97) ALDH1A1KDM4EMAPTHPGDGLA
SCHEMBL1772534 0.76 KDM4E (0.71) ALDH1A1KDM4EMAPTHPGDGLA

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 ALDH1A1 4857/4885KDM4E 1626/4885MAPT 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.