SCHEMBL3604589

SCHEMBL3604589

CC(C)(C)C(=O)ON1CCC(C(=O)c2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
SLC18A3 Q16572 2/20 0.50
KCNH2 Q12809 1/20 0.49
HTR2A P28223 1/20 0.49
CPB1 P15086 1/20 0.49
MGLL Q99685 2/20 0.48
HSD11B1 P28845 1/20 0.48
ALDH1A1 P00352 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
SCHEMBL28017484 0.87 MEN1 (0.43) KMT2AMEN1SLC18A3KCNH2HTR2A
SCHEMBL27758338 0.86 HSD11B1 (0.57) KMT2AHTR2AMGLLHSD11B1ALDH1A1
SCHEMBL28021721 0.86 MGLL (0.57) KMT2AMEN1MGLLHSD11B1
SCHEMBL27991279 0.86 MGLL (0.51) KMT2AMEN1SLC18A3MGLLHSD11B1
SCHEMBL27689722 0.85 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1
SCHEMBL27751800 0.85 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1
SCHEMBL27968799 0.84 MGLL (0.55) KMT2AMEN1MGLLHSD11B1ALDH1A1
SCHEMBL27968804 0.83 HSD11B1 (0.56) KMT2AMEN1MGLLHSD11B1ALDH1A1
SCHEMBL27832420 0.82 CYP2D6 (0.41) KMT2AMEN1ALDH1A1
SCHEMBL2573870 0.81 KMT2A (0.59) KMT2AMEN1SLC18A3KCNH2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105073729-A Phenyl-linked quinolinyl modulators of ROR γ t JANSSEN PHARMACEUTICA NV 2015-11-18 CN disclosed
CN-104781238-A Pyrazole carboxamide compounds, compositions and methods of use HOFFMANN LA ROCHE 2015-07-15 CN disclosed
CN-101443312-B 4-[(3-fluorophenoxy)phenylmethyl]piperidine methanesulfonate: uses, process of synthesis and pharmaceutical compositions FAES FARMA SA 2011-07-06 CN disclosed
US-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2010-01-14 US disclosed
US-7615555-B2 Piperidine derivatives as modulators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2009-11-10 US disclosed
CN-101443312-A 4-[(3-fluorophenoxy)phenylmethyl]piperidine methanesulfonate: uses, process of synthesis and pharmaceutical compositions FAES FARMA SA (ES) 2009-05-27 CN disclosed
CN-100484524-C Thiazolidine carboxamide derivatives as modulators of the prostaglandin receptor APPLIED RESEARCH SYSTEMS (CH) 2009-05-06 CN disclosed
US-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 US disclosed
US-20070161646-A1 Piperidine Derivatives and Their Use as Modulators of Chemokine Receptor Activity (Especially CCR5) ASTRAZENECA AB (SE) 2007-07-12 US disclosed
US-7192973-B2 Piperidine derivatives and their use as modulators of chemokine receptor activity (especially CCR5) ASTRAZENECA AB (SE) 2007-03-20 US disclosed
EP-1742934-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2007-01-17 EP disclosed
WO-2005101989-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2005-11-03 WO disclosed
CN-1655780-A Thiazolidine carboxamide derivatives as modulators of the prostaglandin f receptor APPLIED RESEARCH SYSTEMS (AN) 2005-08-17 CN disclosed
US-20040267016-A1 Piperidine derivatives and their use as modulators of chemokine receptor activity (especially ccr5) ASTRAZENECA AB (SE) 2004-12-30 US disclosed
EP-1448548-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY (ESPECIALLY CCR5) AstraZeneca AB (SE) 2004-08-25 EP disclosed
WO-2003042205-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY (ESPECIALLY CCR5) ASTRAZENECA AB (SE) 2003-05-22 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 (4 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-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 CCR5, CCR2, CXCR3 KMT2A 4652/4885MEN1 4874/4885SLC18A3 567/4885
US-20040267016-A1 Piperidine derivatives and their use as modulators of chemokine receptor activity (especially ccr5) CCR5, CCR2, CCR1 KMT2A 4487/4885MEN1 4759/4885SLC18A3 883/4885
US-20070161646-A1 Piperidine Derivatives and Their Use as Modulators of Chemokine Receptor Activity (Especially CCR5) CCR5, CCR2, CCL5 KMT2A 4465/4885MEN1 4828/4885SLC18A3 795/4885
US-20070167442-A1 Chemical compounds CCR5, CXCR3, CX3CR1 KMT2A 4701/4885MEN1 4165/4885SLC18A3 652/4885

“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.