SCHEMBL3605572

SCHEMBL3605572

Nc1ccc2c(c1)N(CCO)C(=O)CC2

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 2/20 0.52
CHRM1 P11229 9/20 0.40
CHRM2 P08172 7/20 0.40
CHRM4 P08173 7/20 0.40
CHRM5 P08912 7/20 0.40
CHRM3 P20309 7/20 0.40
DRD2 P14416 5/20 0.40
DRD4 P21917 5/20 0.40
DRD3 P35462 5/20 0.40
BRD4 O60885 3/20 0.39
HSD17B3 P37058 1/20 0.39
POLB P06746 1/20 0.38
CA9 Q16790 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GRM5 P41594 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
SCHEMBL3599801 0.88 ATAD2 (0.68) ATAD2CHRM1CHRM2CHRM4CHRM5
SCHEMBL12991995 0.85 ATAD2 (0.60) ATAD2CHRM1CHRM2CHRM4CHRM5
SCHEMBL12991396 0.85 ATAD2 (0.52) ATAD2CHRM1CHRM2CHRM4CHRM5
SCHEMBL3605571 0.82 CHRM1 (0.40) ATAD2CHRM1CHRM2CHRM4CHRM5
SCHEMBL10130299 0.82 GRIN1 (0.46) ATAD2CHRM1CHRM2CHRM4CHRM5
SCHEMBL12992127 0.81 ATAD2 (0.77) ATAD2CHRM1CHRM2CHRM4CHRM5
SCHEMBL8265234 0.79 ATAD2 (0.50) ATAD2CHRM1CHRM2CHRM4CHRM5
SCHEMBL10160254 0.79 ATAD2 (0.52) ATAD2CHRM1BRD4HSD17B3POLB
SCHEMBL14277003 0.78 POLB (0.61) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL31419471 0.77 ATAD2 (0.50) ATAD2DRD2DRD4DRD3BRD4

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-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 US disclosed
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 ATAD2 1819/4885CHRM1 94/4885CHRM2 110/4885
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE TRPV1, TRPV2, TRPV5 ATAD2 231/4885CHRM1 911/4885CHRM2 1165/4885

“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.