SCHEMBL682490

SCHEMBL682490

CCOC(=O)c1cccc2nc(OC)n(Cc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)c12

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 2/20 0.54
ABCB11 O95342 1/20 0.53
EGFR P00533 1/20 0.53
ERBB2 P04626 1/20 0.53
CYP3A4 P08684 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CYP2C9 P11712 1/20 0.53
ADRB3 P13945 1/20 0.53
ADRA2B P18089 1/20 0.53
SLC6A2 P23975 1/20 0.53
TBXAS1 P24557 1/20 0.53
HTR2C P28335 1/20 0.53
AGTR1 P30556 1/20 0.53
PPARG P37231 1/20 0.53
HTR2B P41595 1/20 0.53
PDE3A Q14432 1/20 0.53
LTB4R2 Q9NPC1 1/20 0.53

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
SCHEMBL683298 0.93 AGTR2 (0.62) AGTR2ABCB11EGFRERBB2CYP3A4
SCHEMBL683312 0.92 ABCB11 (0.51) AGTR2ABCB11EGFRERBB2CYP3A4
SCHEMBL9193450 0.92 AGTR2 (0.51) AGTR2ABCB11EGFRERBB2CYP3A4
SCHEMBL683301 0.91 AGTR2 (0.55) AGTR2ABCB11EGFRERBB2CYP3A4
SCHEMBL3974380 0.90 AGTR2 (0.50) AGTR2ABCB11EGFRERBB2CYP3A4
SCHEMBL9194556 0.90 AGTR2 (0.52) AGTR2ABCB11EGFRERBB2CYP3A4
SCHEMBL9194756 0.90 AGTR2 (0.52) AGTR2ABCB11EGFRERBB2CYP3A4
SCHEMBL683619 0.90 ABCB11 (0.61) AGTR2ABCB11EGFRERBB2CYP3A4
SCHEMBL9192752 0.89 AGTR2 (0.53) AGTR2ABCB11EGFRERBB2CYP3A4
SCHEMBL9594008 0.89 AGTR2 (0.44) AGTR2ABCB11EGFRERBB2CYP3A4

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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 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 (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-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS GAP43, GABRB1, GABRB3 AGTR2 2610/4885ABCB11 4659/4885EGFR 2001/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF AGTR2 9/4885ABCB11 4566/4885EGFR 879/4885

“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.