SCHEMBL2568261

SCHEMBL2568261

CCC(=O)Cc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
TDP1 Q9NUW8 4/20 0.45
ATM Q13315 1/20 0.45
MAPT P10636 5/20 0.44
PDK1 Q15118 1/20 0.43
L3MBTL1 Q9Y468 5/20 0.40
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
KCNMA1 Q12791 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
Ethylene SCHEMBL7413101 0.97 CYP1A2 (0.46) CYP1A2TDP1ATMMAPTPDK1
SCHEMBL7410546 0.86 TDP1 (0.45) CYP1A2TDP1ATMMAPTPDK1
SCHEMBL2994232 0.84 CYP1A2 (0.50) CYP1A2TDP1ATMMAPTPDK1
SCHEMBL30410464 0.84 CYP1A2 (0.50) CYP1A2TDP1ATMMAPTPDK1
SCHEMBL6973093 0.83 CYP1A2 (0.49) CYP1A2TDP1ATMMAPTPDK1
SCHEMBL19329660 0.83 CYP1A2 (0.69) CYP1A2TDP1MAPTPDK1ALDH1A1
SCHEMBL2989578 0.83 CYP1A2 (0.69) CYP1A2TDP1ATMMAPTPDK1
SCHEMBL27707665 0.83 TDP1 (0.49) CYP1A2TDP1ATMMAPTPDK1
SCHEMBL2989584 0.83 CYP1A2 (0.69) CYP1A2TDP1ATMMAPTPDK1
SCHEMBL7594106 0.81 CYP1A2 (0.50) CYP1A2TDP1ATMMAPTPDK1

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
EP-1687294-B1 NOVEL PIPERIDINE-SUBSTITUTED INDOLES-OR HETERO-DERIVATIVES THEREOF AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR (CCR-3) BOEHRINGER INGELHEIM INT (DE) 2014-05-21 EP disclosed
EP-1687294-B1 NOVEL PIPERIDINE-SUBSTITUTED INDOLES-OR HETERO-DERIVATIVES THEREOF AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR (CCR-3) BOEHRINGER INGELHEIM INT (DE) 2014-05-21 EP disclosed
EP-1994019-B1 NOVEL PIPERIDIN - SUBSTITUTED INDOLES AND THEIR USE AS CCR-3 MODULATORS BOEHRINGER INGELHEIM INT (DE) 2011-11-02 EP disclosed
EP-1994019-B1 NOVEL PIPERIDIN - SUBSTITUTED INDOLES AND THEIR USE AS CCR-3 MODULATORS BOEHRINGER INGELHEIM INT (DE) 2011-11-02 EP disclosed
US-7759365-B2 Piperidine-substituted indoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-20 US disclosed
US-7759365-B2 Piperidine-substituted indoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-20 US disclosed
US-7759365-B2 Piperidine-substituted indoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-20 US disclosed
US-7544806-B2 Piperidine-substituted indoles-or heteroderivatives thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-09 US disclosed
US-7544806-B2 Piperidine-substituted indoles-or heteroderivatives thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-09 US disclosed
US-7544806-B2 Piperidine-substituted indoles-or heteroderivatives thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-09 US disclosed
EP-1994019-A2 NOVEL PIPERIDIN - SUBSTITUTED INDOLES AND THEIR USE AS CCR-3 MODULATORS Boehringer Ingelheim International GmbH (DE) 2008-11-26 EP disclosed
WO-2006117314-A2 NOVEL PIPERIDIN- SUBSTITUTED INDOLES AND THEIR USE AS CCR-3 MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 WO disclosed
US-20060247230-A1 Novel Piperidine-Substituted Indoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-02 US disclosed
EP-1687294-A2 NOVEL PIPERIDINE-SUBSTITUTED INDOLES-OR HETERO-DERIVATIVES THEREOF AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR (CCR-3) Boehringer Ingelheim International GmbH (DE) 2006-08-09 EP disclosed
US-20050153979-A1 Novel piperidine-substituted indoles-or heteroderivatives thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 US disclosed
WO-2005049559-A2 NOVEL PIPERIDINE-SUBSTITUTED INDOLES- OR HETERO-DERIVATIVES THEREOF AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR (CCR-3) BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-06-02 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 (2 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-20050153979-A1 Novel piperidine-substituted indoles-or heteroderivatives thereof CCR3, CCR1, CCR2 CYP1A2 2436/4885TDP1 3197/4885ATM 3170/4885
US-20060247230-A1 Novel Piperidine-Substituted Indoles CCR3, CCR1, CCR2 CYP1A2 1628/4885TDP1 3129/4885ATM 3840/4885

“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.