SCHEMBL6543753

SCHEMBL6543753

CCOC(=O)CCCC(C#N)(CCCOC1CCCCO1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SLC6A3 Q01959 6/20 0.35
OPRK1 P41145 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
OPRM1 P35372 1/20 0.33
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
CREBBP Q92793 1/20 0.31
EPHA2 P29317 1/20 0.31
P2RX3 P56373 1/20 0.31

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
SCHEMBL8484373 0.97 MEN1 (0.38) MEN1KMT2ASLC6A3OPRK1KDM4E
SCHEMBL8485274 0.97 MEN1 (0.36) MEN1KMT2ASLC6A3OPRK1KDM4E
SCHEMBL7956480 0.92 MEN1 (0.39) MEN1KMT2ASLC6A3OPRK1KDM4E
SCHEMBL6952332 0.91 SLC6A3 (0.36) MEN1KMT2ASLC6A3OPRK1KDM4E
SCHEMBL8124689 0.89 MEN1 (0.43) MEN1KMT2ASLC6A3ALDH1A1EPHA2
SCHEMBL6947257 0.87 SLC6A3 (0.37) MEN1KMT2ASLC6A3OPRK1KDM4E
SCHEMBL7426709 0.87 MEN1 (0.43) MEN1KMT2ASLC6A3EPHA2
SCHEMBL6543937 0.85 MEN1 (0.39) MEN1KMT2ASLC6A3OPRK1KDM4E
SCHEMBL4678659 0.85 MEN1 (0.40) MEN1KMT2ASLC6A3OPRK1OPRM1
SCHEMBL7765828 0.85 MEN1 (0.41) MEN1KMT2ASLC6A3KDM4EALDH1A1

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 MEN1 2993/4885KMT2A 2018/4885SLC6A3 241/4885
US-20020049329-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them TACR2, BDKRB2, ACKR3 MEN1 2993/4885KMT2A 2018/4885SLC6A3 241/4885

“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.