SCHEMBL4823243

SCHEMBL4823243

Cc1ccc(-c2nc(C)c(NCC3CC3)nc2-c2ccc(C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.49
VCP P55072 2/20 0.43
ACHE P22303 4/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM1A O60341 1/20 0.39
SYK P43405 3/20 0.38
AURKB Q96GD4 3/20 0.38
LRRK2 Q5S007 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
PTGIR P43119 1/20 0.37
KCNH2 Q12809 2/20 0.37
USP7 Q93009 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36

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
SCHEMBL4824684 0.74 TLR8 (0.43) ALDH1A1KDM4ETDP1
SCHEMBL4823172 0.73 ADORA1 (0.51) CNR1ALDH1A1MAPTRAB9A
SCHEMBL12327196 0.65 GLA (0.43) ALDH1A1MAPTRAB9A
SCHEMBL22002181 0.64 KDM4E (0.45) VCPALDH1A1LRRK2KDM4ERAB9A
SCHEMBL11935225 0.62 MAPT (0.45) VCPACHEALDH1A1KDM1AKDM4E
SCHEMBL13438905 0.62 MAPT (0.45) VCPACHEALDH1A1KDM1AKDM4E
SCHEMBL1108661 0.62 CRHR1 (0.51) CNR1ALDH1A1SYKLRRK2KDM4E
SCHEMBL1753116 0.62 ACHE (0.58) CNR1VCPACHEHIF1AKDM4E
SCHEMBL4821659 0.62 L3MBTL1 (0.53) CNR1ALDH1A1KDM1AKDM4EPOLB
SCHEMBL22969696 0.61 TDP1 (0.58) CNR1ACHEALDH1A1KDM4EPOLB

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-7326706-B2 Pyrazine modulators of cannabinoid receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-05 US disclosed
US-7326706-B2 Pyrazine modulators of cannabinoid receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-05 US disclosed
US-7326706-B2 Pyrazine modulators of cannabinoid receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-05 US disclosed
US-20050054659-A1 Pyrazine modulators of cannabinoid receptors BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 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-20050054659-A1 Pyrazine modulators of cannabinoid receptors CNR1, CNR2, GPR18 CNR1 1/4885VCP 2429/4885ACHE 2287/4885

“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.