SCHEMBL3988084

SCHEMBL3988084

CC(C)(C)OC(=O)N1CC=C(c2cc(NC(=O)OCc3ccccc3)c(F)cc2F)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.48
GRM5 P41594 6/20 0.45
GRM1 Q13255 6/20 0.45
BTK Q06187 4/20 0.45
NAMPT P43490 1/20 0.45
HTR6 P50406 1/20 0.45
WDR5 P61964 2/20 0.44
TNF P01375 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
JAK1 P23458 1/20 0.42
CDK9 P50750 2/20 0.41
CCNT1 O60563 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
SCHEMBL3993671 0.88 BTK (0.48) BTKHRH3
SCHEMBL7030868 0.84 NAMPT (0.49) PDK4GRM5GRM1BTKNAMPT
SCHEMBL28697188 0.83 PDK4 (0.45) PDK4GRM5GRM1BTKNAMPT
SCHEMBL12479633 0.82 NAMPT (0.52) PDK4GRM5GRM1BTKNAMPT
SCHEMBL14648947 0.81 NAMPT (0.51) PDK4GRM5GRM1BTKNAMPT
SCHEMBL5473100 0.81 NAMPT (0.65) PDK4GRM5GRM1BTKNAMPT
SCHEMBL17197366 0.80 NAMPT (0.51) PDK4GRM5GRM1BTKNAMPT
SCHEMBL4770186 0.80 WDR5 (0.51) PDK4GRM5GRM1NAMPTHTR6
SCHEMBL25281335 0.80 GRM5 (0.45) PDK4GRM5GRM1BTKNAMPT
SCHEMBL13177724 0.79 NAMPT (0.47) PDK4GRM5GRM1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473698-B2 Secondary amino anilinic piperidines as MCH1 antagonists and uses thereof H. LUNBECK A/S (DK) 2009-01-06 US disclosed
US-7473698-B2 Secondary amino anilinic piperidines as MCH1 antagonists and uses thereof H. LUNBECK A/S (DK) 2009-01-06 US disclosed
US-7473698-B2 Secondary amino anilinic piperidines as MCH1 antagonists and uses thereof H. LUNBECK A/S (DK) 2009-01-06 US disclosed
EP-1556351-A4 SECONDARY AMINO ANILINIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF LUNDBECK & CO AS H (DK) 2007-07-25 EP disclosed
US-20050245743-A1 Secondary amino anilinic piperidines as mch1 antagonists and uses thereof H. LUNDBECK A/S (DK) 2005-11-03 US disclosed
EP-1556351-A1 SECONDARY AMINO ANILINIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF H. Lundbeck A/S (DK) 2005-07-27 EP disclosed
WO-2004005257-A1 SECONDARY AMINO ANILINIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF H. LUNDBECK A/S (DK) 2004-01-15 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 (1 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-20050245743-A1 Secondary amino anilinic piperidines as mch1 antagonists and uses thereof MCHR1, MCHR2, MC1R PDK4 2356/4885GRM5 215/4885GRM1 109/4885

“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.