SCHEMBL3986594

SCHEMBL3986594

CC(C)(C)OC(=O)N1CCC(c2cccc(NC(=O)CCCCCBr)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.51
GPR119 Q8TDV5 2/20 0.49
ALOX12 P18054 1/20 0.47
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
PTK2 Q05397 1/20 0.46
EPHX2 P34913 3/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
DRD2 P14416 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
PARP14 Q460N5 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL14587425 0.89 GPR119 (0.51) NAMPTGPR119ALOX12JAK2JAK3
SCHEMBL5209977 0.87 NAMPT (0.49) NAMPTGPR119ALOX12NPC1RAB9A
SCHEMBL5659857 0.85 NAMPT (0.54) NAMPTGPR119ALOX12JAK2JAK3
SCHEMBL3988080 0.84 GPR119 (0.46) NAMPTGPR119ALOX12DRD2
SCHEMBL2878255 0.82 NAMPT (0.57) NAMPTGPR119ALOX12JAK2JAK3
SCHEMBL5663251 0.81 PTPN2 (0.62) NAMPTGPR119ALOX12JAK2JAK3
SCHEMBL16835018 0.79 NAMPT (0.53) NAMPTGPR119ALOX12JAK2JAK3
SCHEMBL5514009 0.79 DRD2 (0.56) NAMPTALOX12DRD2
SCHEMBL16835038 0.79 NAMPT (0.54) NAMPTGPR119ALOX12JAK2JAK3
SCHEMBL328235 0.78 RAB9A (0.50) NAMPTGPR119ALOX12JAK2JAK3

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 NAMPT 3458/4885GPR119 200/4885ALOX12 2724/4885

“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.