SCHEMBL3556953

SCHEMBL3556953

CCC(=O)Nc1cccc(C2CCNCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
NR4A1 P22736 1/20 0.52
RAB9A P51151 1/20 0.52
GAA P10253 1/20 0.51
HTR2C P28335 4/20 0.50
BRAF P15056 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 1/20 0.48
SMYD3 Q9H7B4 1/20 0.47
DRD4 P21917 3/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
DAPK3 O43293 1/20 0.45
JAK2 O60674 1/20 0.45
PRKD3 O94806 1/20 0.45
PAK4 O96013 1/20 0.45

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
SCHEMBL4124526 0.90 POLB (0.59) POLBNR4A1RAB9AGAABRAF
SCHEMBL6224995 0.90 F2R (0.52) RAB9AHTR2CDRD4DRD2DRD3
SCHEMBL4098389 0.85 HTR2C (0.54) HTR2CBRAFDRD2
SCHEMBL16835013 0.84 HTR2C (0.48) POLBHTR2CCDK8JAK3BTK
SCHEMBL5658730 0.83 GAA (0.54) GAAHTR2CBRAFMEN1KMT2A
Hydrochloric Acid SCHEMBL3337152 0.83 HTR2C (0.55) HTR2CBRAFDRD2
SCHEMBL13939581 0.83 DRD2 (0.55) POLBMEN1KMT2ALMNADRD2
SCHEMBL5662169 0.83 NAMPT (0.56) RAB9AMEN1KMT2AJAK3
SCHEMBL5324244 0.82 HTR2C (0.55) HTR2CJAK3CYP3A4
SCHEMBL22417190 0.82 DRD2 (0.59) POLBNR4A1RAB9AGAADRD4

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 21 patents — showing the first 20. 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
EP-3083601-B1 PIPERIDINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2020-09-09 EP disclosed
CN-105849096-B Piperidine derivatives having multimodal activity against pain 埃斯蒂文制药股份有限公司 2019-11-29 CN disclosed
US-9981942-B2 Piperidine derivatives having multimodal activity against pain LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2018-05-29 US 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
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
CN-105849096-A Piperidine derivatives having multimodal activity against pain 埃斯蒂文博士实验室股份有限公司 2016-08-10 CN 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
US-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MSD K.K. (JP) 2006-05-18 US disclosed
CN-1735595-A Substituted alkyl amido piperidines LUNDBECK & CO AS H (DK) 2006-02-15 CN disclosed
EP-1595867-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS CONTAINING PIPERIDINE DERIVATIVES AS THE ACTIVE INGREDIENT BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-16 EP disclosed
CN-1671386-A Substituted anilinic piperidines as MCH selective antagonists LUNDBECK & CO AS H (DK) 2005-09-21 CN 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 (3 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 POLB 4634/4885NR4A1 424/4885RAB9A 3072/4885
US-20170001978-A1 PIPERIDINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRD1, OPRM1, OPRK1 POLB 1008/4885NR4A1 472/4885RAB9A 2089/4885
US-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MCHR1, MC1R, PRLHR POLB 2699/4885NR4A1 287/4885RAB9A 1120/4885

“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.