SCHEMBL7996548

SCHEMBL7996548

CCN1CCc2[nH]c3cc(N)ccc3c2C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.49
ACHE P22303 7/20 0.47
GRIN1 Q05586 3/20 0.47
GRIN2A Q12879 3/20 0.47
GRIN2D O15399 2/20 0.47
GRIN3B O60391 2/20 0.47
GRIN2B Q13224 2/20 0.47
GRIN2C Q14957 2/20 0.47
GRIN3A Q8TCU5 2/20 0.47
SIGMAR1 Q99720 4/20 0.44
CHRNA7 P36544 1/20 0.43
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL30945657 0.80 ACHE (0.70) BAZ2BACHESIGMAR1CHRNA7DRD2
SCHEMBL631839 0.80 ACHE (0.70) BAZ2BACHESIGMAR1CHRNA7DRD2
SCHEMBL1415364 0.79 HTR1A (0.56) GRIN2BSIGMAR1KDM4E
SCHEMBL3886166 0.78 BAZ2B (0.52) BAZ2BACHEGRIN1GRIN2AGRIN2D
SCHEMBL13011617 0.77 HTR7 (0.47) BAZ2BACHEGRIN1GRIN2AGRIN2D
SCHEMBL2188030 0.77 ACHE (0.76) BAZ2BACHEGRIN1GRIN2AGRIN2D
SCHEMBL3716545 0.76 BAZ2B (0.62) BAZ2BACHEGRIN1GRIN2AGRIN2D
SCHEMBL16624100 0.74 HTR1A (0.50) ACHEGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL3881136 0.73 KDM4E (0.64) BAZ2BGRIN2BCHRNA7DRD2DRD1
SCHEMBL17993875 0.73 MEN1 (0.55) GRIN2BSIGMAR1DRD2DRD1DRD4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 US disclosed
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 US disclosed
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 US disclosed
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 US disclosed
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 WO disclosed
WO-2008062182-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2008-05-29 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 (2 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-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY IDO1, FOXM1, IPO5 BAZ2B 3488/4885ACHE 3433/4885GRIN1 679/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 BAZ2B 1534/4885ACHE 2095/4885GRIN1 1325/4885

“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.