SCHEMBL4823172

SCHEMBL4823172

Cc1ccc(-c2nc(C)c(NC3CCCCC3)nc2-c2ccc(C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.51
ALOX5 P09917 6/20 0.49
CNR1 P21554 5/20 0.49
ADORA3 P0DMS8 1/20 0.48
ADORA2A P29274 1/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
GABBR2 O75899 2/20 0.42
GABBR1 Q9UBS5 2/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL3115369 0.75 ADORA1 (0.50) ADORA1ALOX5ADORA3ADORA2ARAB9A
SCHEMBL4823243 0.73 CNR1 (0.49) CNR1RAB9AALDH1A1MAPT
SCHEMBL25556868 0.72 ACP1 (0.47) ADORA1ALOX5ADORA3ADORA2ARAB9A
SCHEMBL9607736 0.72 ADORA1 (0.51) ADORA1ALOX5CNR1ADORA3ADORA2A
SCHEMBL16490494 0.71 NPC1 (0.59) ADORA1ADORA3ADORA2ARAB9ANPC1
SCHEMBL22428619 0.71 ADORA1 (0.46) ADORA1ALOX5CNR1ADORA3ADORA2A
SCHEMBL3116087 0.71 GABBR2 (0.74) ADORA1ADORA3ADORA2ARAB9ANPC1
SCHEMBL29363115 0.71 ADORA1 (0.46) ADORA1ALOX5CNR1ADORA3ADORA2A
SCHEMBL3775348 0.70 LRRK2 (0.69)
SCHEMBL6076928 0.70 PDE5A (0.46) ADORA1ALOX5ADORA3ADORA2ARAB9A

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 ADORA1 297/4885ALOX5 1452/4885CNR1 1/4885

“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.