SCHEMBL3883687

SCHEMBL3883687

O=C(N[C@@H]1CCCC[C@H]1CO)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.55
CASP3 P42574 3/20 0.54
ALDH1A1 P00352 2/20 0.54
GAA P10253 1/20 0.54
CPB1 P15086 2/20 0.53
TSHR P16473 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CTSB P07858 3/20 0.50
CTSK P43235 3/20 0.50
CTSS P25774 2/20 0.50
CTSL P07711 2/20 0.50

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
SCHEMBL14368969 1.00 EPHX1 (0.55) EPHX1CASP3ALDH1A1GAACPB1
SCHEMBL14392357 1.00 EPHX1 (0.55) EPHX1CASP3ALDH1A1GAACPB1
SCHEMBL3883690 1.00 EPHX1 (0.55) EPHX1CASP3ALDH1A1GAACPB1
SCHEMBL19515030 1.00 EPHX1 (0.55) EPHX1CASP3ALDH1A1GAACPB1
SCHEMBL26253804 0.99 EPHX1 (0.57) EPHX1CASP3ALDH1A1GAACPB1
SCHEMBL28523904 0.92 CPB1 (0.58) EPHX1CASP3ALDH1A1GAACPB1
SCHEMBL15046656 0.92 CPB1 (0.58) EPHX1CASP3ALDH1A1GAACPB1
SCHEMBL30060973 0.92 CPB1 (0.58) EPHX1CASP3ALDH1A1GAACPB1
SCHEMBL30617864 0.89 CPB1 (0.66) EPHX1CASP3ALDH1A1GAACPB1
SCHEMBL6612597 0.89 EPHX1 (0.63) EPHX1CASP3ALDH1A1GAACPB1

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
US-7514430-B2 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-04-07 US disclosed
US-7514430-B2 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-04-07 US disclosed
WO-2007126362-A1 COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DISEASE AND/OR SCHIZOPHRENIA ASTRAZENECA AB (SE) 2007-11-08 WO disclosed
US-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-7291744-B2 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
US-6984651-B2 Piperidine amides as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA, COMPANY (US) 2006-01-10 US disclosed
US-6974869-B2 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-12-13 US disclosed
US-20050261311-A1 Piperizinones as modulators of chemokine receptor activity DELUCCA GEORGE V 2005-11-24 US disclosed
US-20050153970-A1 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-07-14 US disclosed
US-20040082790-A1 Piperidine amides as modulators of chemokine receptor activity DUNCIA JOHN V (US) 2004-04-29 US disclosed
US-6638950-B2 Antiasthmatics and antiallergens, treating autoimmune pathologies such as rheumatoid arthritis and atherosclerosis BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-10-28 US disclosed
US-20030144277-A1 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-31 US disclosed
EP-1296949-A2 PIPERIDINE AMIDES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Pharma Company (US) 2003-04-02 EP disclosed
US-20020156102-A1 Piperidine amides as modulators of chemo kine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-10-24 US disclosed
WO-2001098268-A2 PIPERIDINE AMIDES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 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 (6 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-20050153970-A1 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity ACKR3, CCL11, GPR17 EPHX1 817/4885CASP3 4372/4885ALDH1A1 1127/4885
US-20020156102-A1 Piperidine amides as modulators of chemo kine receptor activity CCR3, CCR1, ACKR3 EPHX1 2452/4885CASP3 2680/4885ALDH1A1 1698/4885
US-20070259888-A1 Novel Compounds OPRL1, OPRM1, SIGMAR1 EPHX1 1536/4885CASP3 1742/4885ALDH1A1 1047/4885
US-20030144277-A1 Piperizinones as modulators of chemokine receptor activity CCR3, CCR1, CCR5 EPHX1 1476/4885CASP3 2107/4885ALDH1A1 528/4885
US-20040082790-A1 Piperidine amides as modulators of chemokine receptor activity CCR3, CCR1, CCL11 EPHX1 1912/4885CASP3 1774/4885ALDH1A1 722/4885
US-20050261311-A1 Piperizinones as modulators of chemokine receptor activity CCR3, CCR1, CCR5 EPHX1 1512/4885CASP3 2116/4885ALDH1A1 664/4885

“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.