SCHEMBL5659857

SCHEMBL5659857

CCC(=O)Nc1cccc(C2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.54
ALOX12 P18054 1/20 0.51
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
JAK2 O60674 2/20 0.48
JAK3 P52333 2/20 0.48
PTK2 Q05397 2/20 0.48
GPR119 Q8TDV5 5/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
DRD4 P21917 3/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
TGFBR1 P36897 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL5663251 0.89 PTPN2 (0.62) NAMPTALOX12PTPN2PTPN1PTPN6
SCHEMBL2878255 0.88 NAMPT (0.57) NAMPTALOX12PTPN2PTPN1PTPN6
SCHEMBL16835018 0.87 NAMPT (0.53) NAMPTALOX12PTPN2PTPN1PTPN6
SCHEMBL14587425 0.87 GPR119 (0.51) NAMPTALOX12PTPN2PTPN1PTPN6
SCHEMBL3986594 0.85 NAMPT (0.51) NAMPTALOX12PTPN2PTPN1PTPN6
SCHEMBL5514009 0.85 DRD2 (0.56) NAMPTALOX12DRD2
SCHEMBL16835038 0.85 NAMPT (0.54) NAMPTALOX12PTPN2PTPN1PTPN6
SCHEMBL16835012 0.84 DRD4 (0.55) NPC1RAB9ADRD4DRD2DRD3
SCHEMBL16834973 0.84 ALOX12 (0.59) NAMPTALOX12JAK2JAK3PTK2
SCHEMBL328235 0.84 RAB9A (0.50) NAMPTALOX12PTPN2PTPN1PTPN6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083601-B1 PIPERIDINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2020-09-09 EP disclosed
US-9981942-B2 Piperidine derivatives having multimodal activity against pain LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2018-05-29 US disclosed
US-20170001978-A1 PIPERIDINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2017-01-05 US disclosed
EP-3083601-A1 PIPERIDINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN Laboratorios Del. Dr. Esteve, S.A. (ES) 2016-10-26 EP disclosed
WO-2015091939-A1 PIPERIDINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2015-06-25 WO disclosed
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
EP-1411942-A4 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS SYNAPTIC PHARMA CORP (US) 2005-01-26 EP disclosed
EP-1411942-A1 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS Synaptic Pharmaceutical Corporation (US) 2004-04-28 EP disclosed
US-6727264-B1 MELANIN CONCENTRATING HORMONE-1 RECEPTOR ANTAGONISTS; SLEEP, EATING, SEXUAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 US disclosed
WO-2003004027-A1 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-01-16 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-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MCHR1, MCHR2, MC1R NAMPT 1815/4885ALOX12 2297/4885PTPN2 815/4885
US-20170001978-A1 PIPERIDINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRD1, OPRM1, OPRK1 NAMPT 3172/4885ALOX12 976/4885PTPN2 4158/4885

“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.