SCHEMBL3587653

SCHEMBL3587653

[NH]c1cccc2c1N(CCO)C(=O)CC2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
CHRM1 P11229 12/20 0.38
CHRM2 P08172 9/20 0.38
CHRM4 P08173 9/20 0.38
CHRM5 P08912 9/20 0.38
CHRM3 P20309 9/20 0.38
DRD2 P14416 8/20 0.38
DRD4 P21917 7/20 0.38
DRD3 P35462 7/20 0.38
HEXA P06865 1/20 0.36
HEXB P07686 1/20 0.36
MAP2K1 Q02750 1/20 0.36
KCNH2 Q12809 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33

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
SCHEMBL3587655 0.82 MAP2K1 (0.39) POLBCHRM1CHRM2CHRM4CHRM5
SCHEMBL3602291 0.77 LOXL2 (0.44) POLBCHRM1CHRM2CHRM4CHRM5
SCHEMBL3588020 0.76 SRD5A1 (0.45) POLBCHRM1CHRM2CHRM4CHRM5
SCHEMBL14277003 0.74 POLB (0.61) POLBCHRM1CHRM2CHRM4CHRM5
SCHEMBL282756 0.70 KMT2A (0.39) POLBCHRM1CHRM2CHRM4CHRM5
SCHEMBL3605571 0.70 CHRM1 (0.40) POLBCHRM1CHRM2CHRM4CHRM5
SCHEMBL3599798 0.70 ATAD2 (0.46) POLBCHRM1CHRM2CHRM4CHRM5
SCHEMBL9689691 0.67 MAPT (0.41) POLBCHRM1CHRM2CHRM4CHRM5
SCHEMBL5661091 0.66 CHRM2 (0.67) POLBCHRM1CHRM2CHRM4CHRM5
SCHEMBL1763875 0.65 DRD2 (0.43) POLBCHRM1CHRM2CHRM4CHRM5

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 POLB 1341/4885CHRM1 94/4885CHRM2 110/4885

“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.