SCHEMBL3598950

SCHEMBL3598950

CN(C)CCN(C)C1Cc2c(N)cccc2NC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
DDB1 Q16531 3/20 0.33
CRBN Q96SW2 3/20 0.33
HTR1A P08908 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CHRM2 P08172 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADRA2A P08913 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
HTR2A P28223 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL3592386 0.89 TRPV1 (0.38) ALDH1A1MAPTDDB1CRBNHTR1A
SCHEMBL3590436 0.86 TRPV1 (0.40) ALDH1A1DDB1CRBNHTR1AKDM4E
SCHEMBL3598948 0.86 HTR1A (0.34) ALDH1A1MAPTDDB1CRBNHTR1A
SCHEMBL3593980 0.84 HTR5A (0.35) DDB1CRBNHTR1AHTR2AOPRM1
SCHEMBL3595541 0.80 HSP90AA1 (0.35) ALDH1A1MAPTDDB1CRBNHTR1A
SCHEMBL3594041 0.80 HTR1A (0.34) DDB1CRBNHTR1ADRD2DRD3
SCHEMBL3584557 0.76 DDB1 (0.37) ALDH1A1MAPTDDB1CRBNKDM4E
SCHEMBL3588367 0.74 CA9 (0.41) MAPTDDB1CRBNKDM4E
SCHEMBL3600259 0.74 CA9 (0.33) MAPTDDB1CRBNKDM4E
SCHEMBL3592385 0.74 TRPV1 (0.38) ALDH1A1MAPTDDB1CRBNHTR1A

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 ALDH1A1 1904/4885MAPT 4758/4885DDB1 1855/4885

“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.