SCHEMBL6091745

SCHEMBL6091745

CC(C)(C)OC(=O)NC(CC=O)c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.47
CTSS P25774 3/20 0.47
ALDH1A1 P00352 3/20 0.45
TSHR P16473 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ATM Q13315 2/20 0.44
JAK2 O60674 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 2/20 0.43
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL6091734 1.00 CTSK (0.47) CTSKCTSSALDH1A1TSHRNPSR1
SCHEMBL29833640 0.89 CTSK (0.46) CTSKCTSSALDH1A1TSHRNPSR1
SCHEMBL4608845 0.86 ALDH1A1 (0.49) CTSKCTSSALDH1A1TSHRNPSR1
SCHEMBL14638888 0.86 ALDH1A1 (0.49) CTSKCTSSALDH1A1TSHRNPSR1
SCHEMBL666770 0.86 ALDH1A1 (0.49) CTSKCTSSALDH1A1TSHRNPSR1
SCHEMBL21507528 0.85 CTSK (0.46) CTSKCTSSALDH1A1POLBMAPK1
SCHEMBL27545803 0.85 CTSS (0.48) CTSKCTSSALDH1A1TSHRNPSR1
SCHEMBL4598459 0.85 CTSS (0.48) CTSKCTSSALDH1A1TSHRNPSR1
SCHEMBL14639327 0.85 CTSS (0.48) CTSKCTSSALDH1A1TSHRNPSR1
SCHEMBL3378239 0.85 CTSK (0.46) CTSKCTSSALDH1A1TSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1830445-B Composition of tropane derivatives having therapy use and polymorph thereof PFIZER 2011-04-20 CN disclosed
CN-100355753-C Intermediate for preparing tropane derivative with therapeutic action PFIZER (US) 2007-12-19 CN disclosed
CN-1279040-C Tropane derivatives for use in therapy PFIZER LTD (US) 2006-10-11 CN disclosed
CN-1830445-A Tropane derivatives having therapy using, compounds and polymorph thereof PFIZER (US) 2006-09-13 CN disclosed
US-20060167048-A1 N-4-piperidinyl compounds as ccr5 modulators ASTRAZENECA AB (SE) 2006-07-27 US disclosed
CN-1680371-A Intermediate for preparing tropane derivative with therapeutic action PFIZER (US) 2005-10-12 CN disclosed
US-20050171353-A1 Piperidine or 8-aza-bicyclo[3.2.1]oct-3-yl derivatives useful as modulators of chemokine receptor activity (especially ccr5) ASTRAZENECA AB (SE) 2005-08-04 US disclosed
EP-1539695-A1 N-4-PIPERIDINYL COMPOUNDS AS CCR5 MODULATORS AstraZeneca AB (SE) 2005-06-15 EP disclosed
US-20040266823-A1 Novel piperidine derivatives as modulators of chemokine receptors ASTRAZENECA AB (SE) 2004-12-30 US disclosed
EP-1490336-A1 PIPERIDINE OR 8-AZA-BICYCLO(3.2.1)OCT-3-YL DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY (ESPECIALLY CCR5) AstraZeneca AB (SE) 2004-12-29 EP disclosed
EP-1448525-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS AstraZeneca AB (SE) 2004-08-25 EP disclosed
WO-2004018425-A1 N-4-PIPERIDINYL COMPOUNDS AS CCR5 MODULATORS ASTRAZENECA AB (SE) 2004-03-04 WO disclosed
WO-2003080574-A1 PIPERIDINE OR 8-AZA-BICYCLO[3.2.1]OCT-3-YL DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY (ESPECIALLY CCR5) ASTRAZENECA AB (SE) 2003-10-02 WO disclosed
CN-1437599-A Tropane derivatives for use in therapy PFIZER LTD (US) 2003-08-20 CN disclosed
WO-2003042178-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS 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 (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-20050171353-A1 Piperidine or 8-aza-bicyclo[3.2.1]oct-3-yl derivatives useful as modulators of chemokine receptor activity (especially ccr5) CCR5, CXCR1, CCR7 CTSK 3757/4885CTSS 3384/4885ALDH1A1 1485/4885
US-20060167048-A1 N-4-piperidinyl compounds as ccr5 modulators CCR5, CCL5, CCR2 CTSK 3692/4885CTSS 1940/4885ALDH1A1 1612/4885
US-20040266823-A1 Novel piperidine derivatives as modulators of chemokine receptors CCR5, CCR2, CX3CR1 CTSK 3212/4885CTSS 3177/4885ALDH1A1 1069/4885

“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.