SCHEMBL5658952

SCHEMBL5658952

Cc1ccc(C2=CCN(C(=O)OC(C)(C)C)CC2)cc1NC(=O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.53
CDK7 P50613 1/20 0.52
CDK13 Q14004 1/20 0.52
CDK12 Q9NYV4 1/20 0.52
SOS1 Q07889 1/20 0.47
PDK4 Q16654 1/20 0.47
LIPC P11150 1/20 0.45
LIPG Q9Y5X9 1/20 0.45
GRM1 Q13255 5/20 0.45
GRM5 P41594 4/20 0.45
WNT3A P56704 1/20 0.44
JAK1 P23458 1/20 0.43
QDPR P09417 2/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
ATR Q13535 1/20 0.41
TLR7 Q9NYK1 1/20 0.41

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
SCHEMBL5660323 0.85 QDPR (0.47) NAMPTQDPRTSHRLMNA
SCHEMBL5662063 0.83 NAMPT (0.56) NAMPTCDK7CDK13CDK12SOS1
SCHEMBL19104448 0.83 NAMPT (0.57) NAMPTCDK7CDK13CDK12SOS1
SCHEMBL4767880 0.82 PDK4 (0.52) NAMPTCDK7CDK13CDK12PDK4
SCHEMBL14857260 0.81 NAMPT (0.55) NAMPTCDK7CDK13CDK12SOS1
SCHEMBL5660055 0.81 PDK4 (0.62) NAMPTCDK7CDK13CDK12PDK4
SCHEMBL15178435 0.80 NAMPT (0.54) NAMPTCDK7CDK13CDK12SOS1
SCHEMBL8912847 0.79 NAMPT (0.63) NAMPTCDK7CDK13CDK12PDK4
SCHEMBL19103538 0.79 NAMPT (0.55) NAMPTCDK7CDK13CDK12SOS1
SCHEMBL24669352 0.78 NAMPT (0.53) NAMPTCDK7CDK13CDK12SOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MARZABADI MOHAMMAD R 2007-02-22 US disclosed
US-7067534-B1 Substituted anilinic piperidines as MCH selective antagonists H. LUNDBECK A/S (DK) 2006-06-27 US disclosed
US-6727264-B1 MELANIN CONCENTRATING HORMONE-1 RECEPTOR ANTAGONISTS; SLEEP, EATING, SEXUAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 US disclosed
US-20040038855-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2004-02-26 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-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MCHR1, MCHR2, MC1R NAMPT 1815/4885CDK7 3981/4885CDK13 4553/4885
US-20040038855-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R NAMPT 4179/4885CDK7 3258/4885CDK13 2657/4885

“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.