SCHEMBL6739716

SCHEMBL6739716

CC(C)Nc1cccc(CN2CCCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
PRMT6 Q96LA8 1/20 0.53
KDM4E B2RXH2 2/20 0.51
GAA P10253 1/20 0.51
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 1/20 0.50
HIF1A Q16665 1/20 0.50
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
CYP2C19 P33261 1/20 0.47
HRH3 Q9Y5N1 3/20 0.47
ACKR3 P25106 1/20 0.46
ACP1 P24666 1/20 0.46

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
SCHEMBL6736373 0.84 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2TDP1PRMT6KDM4E
SCHEMBL922710 0.82 PRMT6 (0.57) ALDH1A1SMN1; SMN2TDP1PRMT6KDM4E
SCHEMBL7600247 0.81 KDM4E (0.69) ALDH1A1KDM4EGAACYP2D6CYP2C9
SCHEMBL25802868 0.80 HRH3 (0.64) ALDH1A1SMN1; SMN2KDM4ECYP2D6CYP2C19
SCHEMBL11339852 0.79 PRMT6 (0.78) ALDH1A1SMN1; SMN2TDP1PRMT6KDM4E
SCHEMBL11192726 0.79 PRMT6 (0.78) ALDH1A1SMN1; SMN2TDP1PRMT6KDM4E
SCHEMBL10077365 0.79 JAK2 (0.61) ALDH1A1SMN1; SMN2TDP1PRMT6KDM4E
SCHEMBL10702311 0.79 KDM4E (0.67) ALDH1A1KDM4EGAACYP2D6CYP2C9
SCHEMBL6739596 0.79 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2TDP1PRMT6KDM4E
SCHEMBL21730451 0.78 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KDM4ECYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127507-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-01 US disclosed
US-20040122026-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. 2004-06-24 US disclosed
US-20030225288-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-12-04 US disclosed
WO-2003087063-A1 IMIDAZOLIDINE COMPOUNDS AS CHEMOKINE RECEPTOR MODULATORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-23 WO 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 (3 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-20040127507-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 ALDH1A1 569/4885SMN1; SMN2 853/4885TDP1 1268/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 ALDH1A1 569/4885SMN1; SMN2 853/4885TDP1 1268/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 ALDH1A1 569/4885SMN1; SMN2 853/4885TDP1 1268/4885

“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.