SCHEMBL3095443

SCHEMBL3095443

CC(=O)c1ccc(N2CCC(C(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 3/20 0.58
MAPT P10636 3/20 0.58
MEN1 O00255 1/20 0.58
LMNA P02545 2/20 0.55
MMP2 P08253 1/20 0.49
MMP13 P45452 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
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
CHRM4 P08173 1/20 0.43
HPGDS O60760 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL13092182 0.84 MAPT (0.48) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL3098112 0.84 KMT2A (0.52) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL3104185 0.83 NOTUM (0.52) KMT2AMAPTTET3FBXL19CXXC5
SCHEMBL7909106 0.78 MAPT (0.42) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL3106908 0.78 KDM4E (0.53) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL2702098 0.78 KMT2A (0.56) KMT2AALDH1A1MEN1TET3FBXL19
SCHEMBL3088865 0.77 KDM4E (0.50) KMT2AMAPTMEN1MMP2MMP13
SCHEMBL3231910 0.75 HRH3 (0.48) KMT2AMEN1TET3FBXL19CXXC5
SCHEMBL3104296 0.75 CA12 (0.58) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL3102395 0.75 SMN1; SMN2 (0.52) KMT2AALDH1A1MAPTMEN1LMNA

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 1488/4885ALDH1A1 480/4885MAPT 1137/4885

“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.