SCHEMBL6543293

SCHEMBL6543293

CC(=O)NC1(Cc2ccccc2)CCN(OS(=O)(=O)c2ccc(C)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
FKBP1A P62942 2/20 0.39
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
VDR P11473 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2C19 P33261 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
NR3C1 P04150 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ESR2 Q92731 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6543519 0.89 KDM4E (0.40) KMT2AMEN1GAAPKMFKBP1A
SCHEMBL8366661 0.89 MEN1 (0.38) KMT2AMEN1GAAPKMFKBP1A
SCHEMBL7744635 0.88 KMT2A (0.41) KMT2AMEN1GAAPKMFKBP1A
SCHEMBL7744607 0.81 POLB (0.57) KMT2AMEN1GAAPOLBVDR
SCHEMBL6543288 0.78 KMT2A (0.41) KMT2AMEN1GAAPKMPOLB
SCHEMBL6543184 0.78 ALDH1A1 (0.46) KMT2AMEN1GAAPKMFKBP1A
SCHEMBL6544418 0.78 ALDH1A1 (0.44) KMT2AMEN1GAAPKMFKBP1A
SCHEMBL6543591 0.77 ALDH1A1 (0.48) KMT2AMEN1GAAPKMFKBP1A
SCHEMBL6543251 0.77 ALDH1A1 (0.48) KMT2AMEN1GAAPKMFKBP1A
SCHEMBL6544455 0.76 GAA (0.42) KMT2AMEN1GAAPKMFKBP1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040220223-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2004-11-04 US disclosed
US-6710042-B2 PIPERIDINE DERIVATIVES; TREATMENT OF PSYCHOLOGICAL DISORDERS SANOFI-SYNTHELABO (FR) 2004-03-23 US disclosed
US-20020049329-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2002-04-25 US disclosed
US-6291672-B1 FOR THE PREPARATION OF DRUGS USEFUL IN THERAPY OF PSYCHIATRIC DISEASES, DISEASES OF PSYCHOSOMATIC ORIGIN, HYPERTENSION SANOFI-SYNTHELABO (FR) 2001-09-18 US disclosed
US-6028082-A FOR TRATING PSYCHOLOGICAL DISORDERS SANOFI-SYNTHELABO (FR) 2000-02-22 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-20040220223-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them TACR2, BDKRB2, ACKR3 KMT2A 2018/4885MEN1 2993/4885GAA 1865/4885
US-20020049329-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them TACR2, BDKRB2, ACKR3 KMT2A 2018/4885MEN1 2993/4885GAA 1865/4885

“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.