SCHEMBL5127612

SCHEMBL5127612

CC(C)C(=O)NC1CCC(N(C)C(N)=S)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 4/20 0.37
FASN P49327 1/20 0.37
KMT2A Q03164 1/20 0.33
NPY5R Q15761 3/20 0.32
LMNA P02545 1/20 0.32
BLM P54132 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
KDM1A O60341 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
SCHEMBL7498983 0.82 FASN (0.42) SMYD3FASNKMT2ANPY5RLMNA
SCHEMBL12304471 0.80 FASN (0.42) SMYD3FASNKMT2AMAPK8MAPK9
SCHEMBL103477 0.77
SCHEMBL18880078 0.77 SMYD3 (0.47) SMYD3FASNKMT2AMAPK8MAPK9
SCHEMBL27605000 0.75
SCHEMBL5130618 0.75 HSD11B1 (0.37) SMYD3FASNMTNR1AMTNR1BKDM1A
SCHEMBL7474655 0.72 NPY5R (0.34) SMYD3NPY5R
SCHEMBL5121347 0.72 NPY5R (0.34) SMYD3NPY5R
SCHEMBL572810 0.72 SMYD3 (0.62) SMYD3FASNKMT2A
SCHEMBL572811 0.72 SMYD3 (0.62) SMYD3FASNKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045524-A1 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2008-02-21 US disclosed
US-7273880-B2 Selective NPY (Y5) antagonists H. LUNBECK A/S (DK) 2007-09-25 US disclosed
EP-1816127-A1 TRIAZINE DERIVATIVES FOR USE AS SELECTIVE NPY (Y5) ANTAGONISTS H. Lundbeck A/S (DK) 2007-08-08 EP disclosed
US-7189720-B2 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2007-03-13 US disclosed
US-6989379-B1 Selective NPY (Y5) antagonists H. LUNDBICK A/S (DK) 2006-01-24 US disclosed
EP-1194421-B1 SELECTIVE NPY (Y5) ANTAGONISTS LUNDBECK & CO AS H (DK) 2005-10-12 EP disclosed
US-20050176709-A1 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2005-08-11 US disclosed
US-20050137240-A1 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2005-06-23 US disclosed
EP-1183245-A4 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMA CORP (US) 2002-10-02 EP disclosed
EP-1194421-A4 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMA CORP (US) 2002-09-11 EP disclosed
EP-1194421-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2002-04-10 EP disclosed
EP-1183245-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2002-03-06 EP disclosed
US-6218408-B1 FOR THERAPY OF EATING DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-04-17 US disclosed
US-6214853-B1 DIETETICS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-04-10 US disclosed
WO-2001002379-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2001-01-11 WO disclosed
WO-2000064880-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-11-02 WO 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 (3 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-20080045524-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R SMYD3 3259/4885FASN 3225/4885KMT2A 3078/4885
US-20050176709-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R SMYD3 3259/4885FASN 3225/4885KMT2A 3078/4885
US-20050137240-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R SMYD3 3118/4885FASN 3233/4885KMT2A 3383/4885

“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.