SCHEMBL3598948

SCHEMBL3598948

CN(C)CCN(C)C1Cc2c([NH])cccc2NC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
CHRM2 P08172 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
HTR2A P28223 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL3592385 0.88 TRPV1 (0.38) HTR1AKDM4EMAPTLMNACHRM2
SCHEMBL3590434 0.86 TRPV1 (0.41) HTR1AKDM4ELMNACHRM2CYP3A4
SCHEMBL3598950 0.86 ALDH1A1 (0.34) HTR1AKDM4EMAPTLMNACHRM2
SCHEMBL3593976 0.83 CREBBP (0.34) HTR1AKDM4EMAPTLMNACHRM2
SCHEMBL3595539 0.81 HSP90AA1 (0.36) HTR1AKDM4EMAPTLMNACHRM2
SCHEMBL3594039 0.81 DDB1 (0.33) HTR1ADRD2DRD3DDB1CRBN
SCHEMBL3584555 0.75 DDB1 (0.36) KDM4EMAPTALDH1A1DDB1CRBN
SCHEMBL3588363 0.75 TRPV1 (0.36) DDB1CRBNTRPV1
SCHEMBL3600255 0.75 TRPV1 (0.31) DDB1CRBNTRPV1
SCHEMBL3592386 0.74 TRPV1 (0.38) HTR1AKDM4EMAPTLMNACHRM2

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 HTR1A 1118/4885KDM4E 2284/4885MAPT 4758/4885

“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.