SCHEMBL3098740

SCHEMBL3098740

O=C(c1cnc(N2CCCCC2)nc1)N1CCC(C(=O)O)(c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
GRM5 P41594 2/20 0.46
HSD11B1 P28845 2/20 0.46
AKR1C1 Q04828 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
MEN1 O00255 1/20 0.45
DGAT2 Q96PD7 2/20 0.45
HPGD P15428 1/20 0.44
CYP3A4 P08684 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL3229607 0.86 ALDH1A1 (0.57) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL13092178 0.83 NPY1R (0.45) GRM5HSD11B1DGAT2ALDH1A1TSHR
SCHEMBL3110048 0.83 KMT2A (0.52) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL3104041 0.81 SMN1; SMN2 (0.51) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL3102395 0.80 SMN1; SMN2 (0.52) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL6827806 0.80 ALDH1A1 (0.58) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL1282234 0.77 MLYCD (0.50) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL3088924 0.75 ALDH1A1 (0.68) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL3106668 0.74 ADRA1A (0.55) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL3104333 0.74 ALDH1A1 (0.52) 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 KMT2A 1488/4885TET3 3957/4885FBXL19 3972/4885

“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.