SCHEMBL4091475

SCHEMBL4091475

CN1CCN(c2nc(-c3ccccc3Cl)nc3ccc(C(=O)O)cc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
CYP1A2 P05177 6/20 0.55
CYP3A4 P08684 6/20 0.55
CYP2D6 P10635 5/20 0.55
HSD17B10 Q99714 4/20 0.55
ALDH1A1 P00352 3/20 0.55
MAPT P10636 4/20 0.54
CYP2C19 P33261 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
TSHR P16473 3/20 0.53
MAPK1 P28482 3/20 0.53
LMNA P02545 3/20 0.53
USP2 O75604 1/20 0.53
HIF1A Q16665 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
HRH4 Q9H3N8 1/20 0.50
RAD52 P43351 1/20 0.50
HDAC3 O15379 1/20 0.48

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
SCHEMBL4091099 0.91 CYP1A2 (0.53) ABCB1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL4097518 0.88 MEN1 (0.53) ABCB1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL4085025 0.87 ABCB1 (0.60) ABCB1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL4084460 0.85 ABCB1 (0.58) ABCB1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL4084986 0.85 ABCB1 (0.78) ABCB1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL4084473 0.83 MEN1 (0.58) ABCB1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL4099551 0.83 MEN1 (0.60) ABCB1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL4085214 0.83 CYP1A2 (0.59) ABCB1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL4095913 0.81 ABCB1 (0.79) ABCB1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL4091249 0.80 CYP1A2 (0.54) ABCB1MEN1KMT2ACYP1A2CYP3A4

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 2 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
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 ABCB1 2120/4885MEN1 718/4885KMT2A 1424/4885

“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.