SCHEMBL4097334

SCHEMBL4097334

COc1ccc(Cc2nc(N3CCCCC3)c3ccccc3n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
NPSR1 Q6W5P4 4/20 0.61
MEN1 O00255 4/20 0.61
HTT P42858 3/20 0.61
LMNA P02545 2/20 0.61
MAPT P10636 2/20 0.61
HPGD P15428 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
ALDH1A1 P00352 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
ALOX12 P18054 1/20 0.61
CYP2C19 P33261 1/20 0.61
RECQL P46063 1/20 0.61
POLB P06746 1/20 0.58
TAAR1 Q96RJ0 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
NTSR1 P30989 1/20 0.53
SIRT1 Q96EB6 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
SCHEMBL4092268 0.89 L3MBTL1 (0.63) KMT2ANPSR1MEN1HTTLMNA
SCHEMBL4092351 0.85 NTSR1 (0.58) KMT2ANPSR1MEN1HTTLMNA
SCHEMBL4085150 0.81 TLR7 (0.57) KMT2ANPSR1MEN1HTTLMNA
SCHEMBL27492494 0.78 KMT2A (0.64) KMT2ANPSR1MEN1HTTLMNA
SCHEMBL3819095 0.76 GBA1 (0.64) KMT2ANPSR1MEN1HTTLMNA
SCHEMBL638412 0.75 L3MBTL1 (0.63) KMT2ANPSR1MEN1HTTLMNA
SCHEMBL4096964 0.75 MEN1 (0.57) KMT2ANPSR1MEN1HTTLMNA
SCHEMBL5742174 0.75 GBA1 (0.62) KMT2ANPSR1MEN1HTTLMNA
SCHEMBL460158 0.75 TSHR (0.58) KMT2ANPSR1MEN1HTTLMNA
SCHEMBL4089423 0.74 NPY5R (0.59) KMT2ANPSR1MEN1HTTLMNA

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 KMT2A 1424/4885NPSR1 308/4885MEN1 718/4885

“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.