SCHEMBL4041964

SCHEMBL4041964

O=C(O)CN1CCC(N2CCCCC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 2/20 0.59
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
L3MBTL3 Q96JM7 6/20 0.46
MBTD1 Q05BQ5 5/20 0.46
L3MBTL1 Q9Y468 5/20 0.46
TP53BP1 Q12888 1/20 0.43
L3MBTL4 Q8NA19 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7826195 0.98 KDM4E (0.57) KDM4EALDH1A1ITGB3ITGA2BMAPT
Hydrochloric Acid SCHEMBL27487445 0.98 KDM4E (0.57) KDM4EALDH1A1ITGB3ITGA2BMAPT
Hydrochloric Acid SCHEMBL6623121 0.98 KDM4E (0.57) KDM4EALDH1A1ITGB3ITGA2BMAPT
SCHEMBL5173732 0.98 KDM4E (0.56) KDM4EALDH1A1ITGB3ITGA2BMAPT
Hydrochloric Acid SCHEMBL1373936 0.96 KDM4E (0.55) KDM4EALDH1A1ITGB3ITGA2BMAPT
Ammonia Solution, Strong SCHEMBL12231017 0.85 SIGMAR1 (0.50) KDM4EALDH1A1ITGB3ITGA2BMAPT
SCHEMBL7198313 0.85 SIGMAR1 (0.63) KDM4EALDH1A1MAPTALOX15MEN1
SCHEMBL6478152 0.83 KDM4E (0.54) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL12640340 0.83 KDM4E (0.54) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3064605 0.83 KDM4E (0.54) KDM4EALDH1A1ITGB3ITGA2BMAPT

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212057-A1 Substituted piperidines, medicaments containing these compounds, and methods for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-11-13 US claimed
US-7482363-B2 Piperidine derivatives useful as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2009-01-27 US disclosed
EP-1238974-B1 HETEROCYCLE DERIVATIVES AND DRUGS NIPPON SHINYAKU CO LTD (JP) 2007-05-23 EP disclosed
US-6949541-B2 Substituted piperidines, medicaments containing these compounds, and methods for the production thereof BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-09-27 US disclosed
US-20050182094-A1 Piperidine derivatives useful as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2005-08-18 US disclosed
US-6787546-B2 POTENT ANTICANCER ACTIVITY; WATER SOLUBLE; INJECTION 4-(2-(2-(N-(4-METHOXYBENZENESULFONYL)-N -PIPERIDINOACETYLAMINO)PHENYL)ETHENYL)PYRIDINE 1-OXIDE HYDROCHLORIDE NIPPON SHINYAKU CO., LTD. (JP) 2004-09-07 US disclosed
US-20030212057-A1 Substituted piperidines, medicaments containing these compounds, and methods for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-11-13 US disclosed
US-6596724-B2 Used in promoting weight loss and treating eating disorders BRISTOL-MYERS SQUIBB COMPANY 2003-07-22 US disclosed
US-20030022884-A1 Heterocycle derivatives and drugs NIPPON SHINYAKU CO., LTD. (JP) 2003-01-30 US disclosed
EP-1238974-A1 HETEROCYCLE DERIVATIVES AND DRUGS Nippon Shinyaku Co., Ltd. (JP) 2002-09-11 EP disclosed
EP-0747049-A1 Use of tachykinin antagonists in combination with serotonin agonists or serotonin reuptake inhibitors for the manufacture of a medicament for the treatment of allergic rhinitis ELI LILLY AND COMPANY (US) 1996-12-11 EP disclosed
WO-1996029074-A1 METHODS OF TREATING OR PREVENTING PAIN OR NOCICEPTION ELI LILLY AND COMPANY (US) 1996-09-26 WO disclosed
WO-1996024353-A1 METHODS OF TREATING OR PREVENTING PSYCHIATRIC DISORDERS ELI LILLY AND COMPANY (US) 1996-08-15 WO disclosed
US-5530009-A TREATING ASTHMA ELI LILLY AND COMPANY (US) 1996-06-25 US disclosed
EP-0710479-A1 Use of a serotonin agonist in combination with a tachykinin receptor antagonist for the manufacture of a medicament for the treatment or prevention of migraine ELI LILLY AND COMPANY (US) 1996-05-08 EP disclosed
WO-1996011000-A1 METHODS OF TREATING MIGRAINE ELI LILLY AND COMPANY (US) 1996-04-18 WO disclosed
EP-0699674-A1 1-Aryl-2-acetylamidopentanone derivatives for use as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-03-06 EP disclosed
WO-1996001819-A1 HETEROCYCLIC TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-01-25 WO disclosed
EP-0693489-A1 Heterocyclic tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-01-24 EP disclosed
EP-0686629-A2 Cyclohexyl tachykinine receptor antagonists ELI LILLY AND COMPANY (US) 1995-12-13 EP 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-20030212057-A1 Substituted piperidines, medicaments containing these compounds, and methods for the production thereof CALCA, CALCRL, P2RY1 KDM4E 4675/4885ALDH1A1 312/4885ITGB3 2808/4885
US-20050182094-A1 Piperidine derivatives useful as modulators of chemokine receptor activity CCR3, CCR1, CCR4 KDM4E 3935/4885ALDH1A1 812/4885ITGB3 716/4885
US-20030022884-A1 Heterocycle derivatives and drugs ABCC5, CYP3A5, CYP2D6 KDM4E 1826/4885ALDH1A1 137/4885ITGB3 995/4885

“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.