SCHEMBL6543355

SCHEMBL6543355

CC(C)S(=O)(=O)N1CC2(CCNCC2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 12/20 0.42
NOTUM Q6P988 2/20 0.40
AKT1 P31749 3/20 0.40
P2RY1 P47900 1/20 0.39
TACR1 P25103 1/20 0.38
ACLY P53396 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
SCHEMBL30051797 0.85 NPY5R (0.55) NPY5RNOTUM
SCHEMBL38332 0.85 NPY5R (0.55) NPY5RNOTUM
Hydrochloric Acid SCHEMBL2888051 0.83 NPY5R (0.54) NPY5RNOTUM
Hydrochloric Acid SCHEMBL7123289 0.83 NPY5R (0.54) NPY5RNOTUM
SCHEMBL737327 0.82 NPY5R (0.50) NPY5RNOTUMAKT1TACR1
SCHEMBL6216696 0.82 NPY5R (0.52) NPY5RNOTUMAKT1P2RY1ACLY
Hydrochloric Acid SCHEMBL6215349 0.81 NPY5R (0.49) NPY5RNOTUMAKT1TACR1
Hydrochloric Acid SCHEMBL6216011 0.81 NPY5R (0.51) NPY5RNOTUMAKT1P2RY1ACLY
SCHEMBL6808219 0.80 CYP3A4 (0.47) NPY5RAKT1ACLY
SCHEMBL25278918 0.78 NPY5R (0.42) NPY5RNOTUMAKT1ACLY

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 8 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 claimed
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 claimed
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 claimed
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 NPY5R 589/4885NOTUM 4655/4885AKT1 4106/4885
US-20020049329-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them TACR2, BDKRB2, ACKR3 NPY5R 589/4885NOTUM 4655/4885AKT1 4106/4885

“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.