SCHEMBL3605571

SCHEMBL3605571

[NH]c1ccc2c(c1)N(CCO)C(=O)CC2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 12/20 0.40
CHRM2 P08172 11/20 0.40
CHRM4 P08173 11/20 0.40
CHRM5 P08912 11/20 0.40
CHRM3 P20309 11/20 0.40
DRD2 P14416 10/20 0.40
DRD4 P21917 10/20 0.40
DRD3 P35462 10/20 0.40
POLB P06746 1/20 0.38
BRD4 O60885 2/20 0.37
ATAD2 Q6PL18 1/20 0.36
GRM5 P41594 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 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
SCHEMBL3599798 0.88 ATAD2 (0.46) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL3605572 0.82 ATAD2 (0.52) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL10130299 0.82 GRIN1 (0.46) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL14277003 0.78 POLB (0.61) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL3594131 0.76 TRIM24 (0.45) DRD2BRD4
SCHEMBL3599801 0.73 ATAD2 (0.68) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL3602291 0.71 LOXL2 (0.44) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL3342601 0.71 ATAD2 (0.40) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL3344187 0.71 ATAD2 (0.43) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL13386729 0.71 ATAD2 (0.47) CHRM1CHRM2CHRM4CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 CHRM1 94/4885CHRM2 110/4885CHRM4 520/4885

“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.