SCHEMBL5386324

SCHEMBL5386324

CCCCc1cc(OCC)n2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.37
CRHR1 P34998 4/20 0.37
ADORA2A P29274 2/20 0.36
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
CNR2 P34972 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL5375718 0.80 ADORA2A (0.37) ADORA3CRHR1ADORA2ATDP1HSD11B1
SCHEMBL5384163 0.80 NPC1 (0.44) ADORA2AMEN1NPC1KMT2AKDM4E
SCHEMBL4840644 0.77 CNR1 (0.40) CRHR1ADORA2ATP53TDP1CNR2
SCHEMBL4840591 0.77 CRHR1 (0.39) ADORA3CRHR1TP53TDP1CNR2
SCHEMBL4833246 0.73 CNR1 (0.39) CRHR1TP53TDP1CNR2MEN1
SCHEMBL5380576 0.72 CRHR1 (0.62) CRHR1TP53TDP1MEN1NPC1
SCHEMBL25362329 0.72 CNR1 (0.38) TP53CNR2MEN1KMT2AALDH1A1
SCHEMBL5380161 0.72 KMT2A (0.41) ADORA2AMEN1NPC1POLBKMT2A
SCHEMBL5375929 0.71 MAPT (0.45) CRHR1TP53TDP1CNR2MEN1
SCHEMBL25358857 0.71 MAPT (0.48) ADORA2ATP53CNR2MEN1NPC1

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-7176210-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC. (US) 2007-02-13 US disclosed
US-7176210-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC. (US) 2007-02-13 US disclosed
US-7176210-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC. (US) 2007-02-13 US disclosed
US-20040157838-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 US 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-20040157838-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 ADORA3 481/4885CRHR1 26/4885ADORA2A 364/4885

“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.