SCHEMBL3106908

SCHEMBL3106908

O=C(C1CCN(c2ncccn2)CC1)N1CCC(C(=O)O)(c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
CYP2C19 P33261 1/20 0.53
RIPK1 Q13546 2/20 0.50
KMT2A Q03164 2/20 0.48
TET3 O43151 1/20 0.48
FBXL19 Q6PCT2 1/20 0.48
CXXC5 Q7LFL8 1/20 0.48
TET1 Q8NFU7 1/20 0.48
KDM2B Q8NHM5 1/20 0.48
CXXC4 Q9H2H0 1/20 0.48
KDM2A Q9Y2K7 1/20 0.48
LMNA P02545 4/20 0.47
MAPK1 P28482 3/20 0.47
HSD17B10 Q99714 3/20 0.47
TSHR P16473 2/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL3097486 0.86 CHRM4 (0.51) KDM4EKMT2ATET3FBXL19CXXC5
SCHEMBL3088865 0.84 KDM4E (0.50) KDM4EKMT2ATET3FBXL19CXXC5
SCHEMBL13092231 0.83 NPY1R (0.47) KDM4ECYP2C19RIPK1LMNAHSD17B10
SCHEMBL2702098 0.81 KMT2A (0.56) RIPK1KMT2ATET3FBXL19CXXC5
SCHEMBL3230428 0.79 CHRM4 (0.51)
SCHEMBL3107396 0.79 LMNA (0.58) KDM4EKMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL3095443 0.78 KMT2A (0.58) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL3104185 0.77 NOTUM (0.52) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL3104304 0.77 HRH3 (0.56) KDM4EKMT2ATET3FBXL19CXXC5
SCHEMBL3231910 0.75 HRH3 (0.48) KMT2ATET3FBXL19CXXC5TET1

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-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 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 (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-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HTR3A, OPRL1, OPRK1 KDM4E 2560/4885CYP2C19 777/4885RIPK1 4469/4885

“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.