SCHEMBL29859151

SCHEMBL29859151

CN(C)CCNC(=O)c1cc(C2CC2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 2/20 0.55
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ACMSD Q8TDX5 2/20 0.48
CYP1A2 P05177 1/20 0.47
HSD17B10 Q99714 1/20 0.43
NAAA Q02083 1/20 0.43
AOX1 Q06278 1/20 0.43
KMT2A Q03164 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
QDPR P09417 1/20 0.42
APP P05067 2/20 0.41
RPS6KB1 P23443 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
CDK1 P06493 1/20 0.41
MAPK1 P28482 1/20 0.41
HTR2C P28335 1/20 0.40

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
SCHEMBL8639778 0.75 NAAA (0.60) ALDH1A1KDM4EHTTSMN1; SMN2CYP1A2
SCHEMBL1856511 0.74 ACMSD (0.53) ALDH1A1KDM4ESMN1; SMN2ACMSDQDPR
SCHEMBL21046542 0.74 HTT (0.66) ALDH1A1KDM4EHTTSMN1; SMN2CYP1A2
SCHEMBL19445828 0.74 NPC1 (0.53) ALDH1A1KDM4EHTTSMN1; SMN2CYP1A2
SCHEMBL11216405 0.73 KDM4E (0.68) ALDH1A1KDM4EHTTSMN1; SMN2HSD17B10
SCHEMBL29159056 0.73 CHEK1 (0.43) ALDH1A1KDM4EHTTSMN1; SMN2CYP1A2
SCHEMBL2313791 0.73 PBK (0.56) HTTSMN1; SMN2AOX1
SCHEMBL27881584 0.72 CA12 (0.59) ACMSDKMT2AQDPR
SCHEMBL24163465 0.71 HTT (0.48) ALDH1A1KDM4EHTTSMN1; SMN2CYP1A2
SCHEMBL10820432 0.71 CDK1 (0.74) ALDH1A1KDM4EHTTCYP1A2NAAA

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-12398097-B2 WDR5-MYC inhibitors VANDERBILT UNIVERSITY (US) 2025-08-26 US disclosed
US-20220289673-A1 WDR5-MYC INHIBITORS VANDERBILT UNIVERSITY 2022-09-15 US 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 (2 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-20220289673-A1 WDR5-MYC INHIBITORS MYC, WDR5, MYCBP ALDH1A1 3953/4885KDM4E 344/4885HTT 1364/4885
US-12398097-B2 WDR5-MYC inhibitors MYC, WDR5, MYCBP ALDH1A1 3953/4885KDM4E 344/4885HTT 1364/4885

“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.