SCHEMBL3589647

SCHEMBL3589647

Nc1cccc2c1NC(=O)C(N1CCC[C@H]1CO)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 7/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
DDB1 Q16531 4/20 0.33
TNF P01375 2/20 0.33
IL1B P01584 2/20 0.33
IKZF1 Q13422 2/20 0.33
IKZF3 Q9UKT9 2/20 0.33
TBXA2R P21731 1/20 0.33
PARP1 P09874 1/20 0.32
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
BRD4 O60885 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
CHRNB2 P17787 1/20 0.31

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
SCHEMBL3589646 0.86 KDM4E (0.34) CRBNKDM4EALDH1A1GAAMAPT
SCHEMBL3588832 0.86 DRD2 (0.37) CRBNKDM4EALDH1A1GAAMAPT
SCHEMBL3601188 0.82 KDM4E (0.41) CRBNKDM4EALDH1A1GAAMAPT
SCHEMBL3601734 0.77 CA9 (0.37) CRBNKDM4EALDH1A1GAAMAPT
SCHEMBL3601354 0.77 KMT2A (0.37) CRBNKDM4EALDH1A1GAAMAPT
SCHEMBL3601780 0.76 TSHR (0.43) CRBNKDM4EALDH1A1GAAMAPT
SCHEMBL3595638 0.75 TSHR (0.46) CRBNKDM4EALDH1A1GAAMAPT
SCHEMBL3607361 0.75 MEN1 (0.40) CRBNALDH1A1DDB1TNFIL1B
SCHEMBL3599721 0.74 DRD2 (0.39) CRBNALDH1A1MAPTDDB1TNF
SCHEMBL3601187 0.74 ALDH1A1 (0.42) CRBNKDM4EALDH1A1GAAMAPT

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 CRBN 762/4885KDM4E 2284/4885ALDH1A1 1904/4885

“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.