SCHEMBL3985355

SCHEMBL3985355

CC(C)(C)OC(=O)N1CC=C(c2ccc(F)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.50
GRM1 Q13255 10/20 0.48
GRM5 P41594 9/20 0.48
PDK4 Q16654 1/20 0.46
TLR7 Q9NYK1 1/20 0.44
CDK7 P50613 1/20 0.43
CDK13 Q14004 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
SOS1 Q07889 1/20 0.43
CYP11B2 P19099 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
BRD4 O60885 1/20 0.41
QDPR P09417 1/20 0.41
CNR1 P21554 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
SCHEMBL29976423 0.92 NAMPT (0.50) NAMPTGRM1GRM5PDK4TLR7
SCHEMBL27168139 0.92 NAMPT (0.50) NAMPTGRM1GRM5PDK4TLR7
SCHEMBL24794715 0.88 NAMPT (0.51) NAMPTGRM1GRM5PDK4CDK7
SCHEMBL31129855 0.88 NAMPT (0.51) NAMPTGRM1GRM5PDK4CDK7
SCHEMBL4564162 0.88 NAMPT (0.50) NAMPTGRM1GRM5PDK4CDK7
SCHEMBL3316550 0.87 GRM1 (0.51) NAMPTGRM1GRM5PDK4TLR7
SCHEMBL29709692 0.86 NAMPT (0.51) NAMPTGRM1GRM5PDK4CDK7
SCHEMBL2946035 0.86 NAMPT (0.51) NAMPTGRM1GRM5PDK4CDK7
SCHEMBL24793986 0.86 NAMPT (0.51) NAMPTGRM1GRM5PDK4CDK7
Lithium Ion SCHEMBL31454821 0.86 NAMPT (0.48) NAMPTGRM1GRM5PDK4CDK7

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-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
US-20050245743-A1 Secondary amino anilinic piperidines as mch1 antagonists and uses thereof H. LUNDBECK A/S (DK) 2005-11-03 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 (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 NAMPT 3458/4885GRM1 109/4885GRM5 215/4885

“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.