SCHEMBL6847847

SCHEMBL6847847

CC(C)(C)OC(=O)N1CC=C(c2cccc3ccccc23)CC1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.69
HTR6 P50406 1/20 0.59
GRM5 P41594 9/20 0.53
GRM1 Q13255 9/20 0.53
NAMPT P43490 1/20 0.53
JAK1 P23458 1/20 0.51
CNR1 P21554 1/20 0.49
PDE10A Q9Y233 2/20 0.48
DGAT2 Q96PD7 1/20 0.47
SCN9A Q15858 1/20 0.47

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
SCHEMBL19284633 0.89 PDK4 (0.61) PDK4HTR6GRM5GRM1NAMPT
SCHEMBL19284578 0.88 PDK4 (0.65) PDK4HTR6GRM5GRM1NAMPT
SCHEMBL6808096 0.87 PDK4 (0.59) PDK4HTR6GRM5GRM1NAMPT
SCHEMBL19297116 0.87 PDK4 (0.59) PDK4HTR6GRM5GRM1NAMPT
SCHEMBL5359091 0.87 PDK4 (0.59) PDK4HTR6GRM5GRM1NAMPT
SCHEMBL7953308 0.86 HTR6 (0.58) PDK4HTR6GRM5GRM1NAMPT
SCHEMBL19297042 0.86 PDK4 (0.62) PDK4HTR6GRM5GRM1NAMPT
SCHEMBL19284673 0.86 PDK4 (0.62) PDK4HTR6GRM5GRM1NAMPT
SCHEMBL6811252 0.85 PDK4 (0.57) PDK4HTR6GRM5GRM1NAMPT
SCHEMBL19297151 0.85 PDK4 (0.61) PDK4HTR6GRM5GRM1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242609-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2004-12-02 US disclosed
US-20030082623-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2003-05-01 US disclosed
US-6346622-B1 ENANTIOMORPHS AND ISOMERS ABBOTT LABORATORIES 2002-02-12 US disclosed
CN-1277607-A 2-substituted 1,2-benzisothiazole derivatives and their use as serotonin antagonists (5-HT1A, 5-HT1b and 5-HT1D) BASF AG (DE) 2000-12-20 CN disclosed
EP-0886636-A1 NOVEL PIPERIDINES DERIVED FROM 1-/(PIPERAZIN-1-YL)ARYL(OXY/AMINO)CARBONYL/-4-ARYL-PIPERIDINE AS SELECTIVE 5-HT-1D.BETA. RECEPTOR ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 1998-12-30 EP disclosed
WO-1997028140-A1 NOVEL PIPERIDINES DERIVED FROM 1-/(PIPERAZIN-1-YL)ARYL(OXY/AMINO)CARBONYL/-4-ARYL-PIPERIDINE AS SELECTIVE 5-HT1Db RECEPTOR ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 1997-08-07 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 (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-20030082623-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R PDK4 4379/4885HTR6 70/4885GRM5 215/4885
US-20040242609-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof MCHR1, MCHR2, MC4R PDK4 2737/4885HTR6 115/4885GRM5 263/4885

“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.