SCHEMBL3092940

SCHEMBL3092940

O=C(c1ccc(N2CCOCC2)nn1)N1CCC(C(=O)O)(c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
KMT2A Q03164 2/20 0.45
TET3 O43151 1/20 0.45
FBXL19 Q6PCT2 1/20 0.45
CXXC5 Q7LFL8 1/20 0.45
TET1 Q8NFU7 1/20 0.45
KDM2B Q8NHM5 1/20 0.45
CXXC4 Q9H2H0 1/20 0.45
KDM2A Q9Y2K7 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 6/20 0.43
TSHR P16473 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43

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
SCHEMBL13092259 0.84 ALDH1A1 (0.46) KDM4EKMT2ASMN1; SMN2MAPTTP53
SCHEMBL3088924 0.81 ALDH1A1 (0.68) KDM4EKMT2ATET3FBXL19CXXC5
SCHEMBL3097606 0.78 TSHR (0.58) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL3096819 0.75 MLYCD (0.54) KDM4EKMT2ATET3FBXL19CXXC5
SCHEMBL607319 0.73 CNR2 (0.56) KDM4EKMT2ASMN1; SMN2MAPTLMNA
Hydrochloric Acid SCHEMBL30263381 0.72 CNR2 (0.55) KDM4EKMT2ASMN1; SMN2MAPTLMNA
SCHEMBL3103991 0.71 KMT2A (0.50) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL3229607 0.70 ALDH1A1 (0.57) KDM4EKMT2ATET3FBXL19CXXC5
SCHEMBL1069005 0.70 CNR2 (0.55) KDM4EKMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL11641086 0.70 CNR2 (0.55) KDM4EKMT2ASMN1; SMN2MAPTLMNA

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 2560/4885KMT2A 1488/4885TET3 3957/4885

“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.