SCHEMBL2565099

SCHEMBL2565099

CCC(=O)Cc1cccc(F)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IAPP P10997 1/20 0.36
MGMT P16455 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 3/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL22284116 0.84 GAA (0.40) GAALMNAALDH1A1TDP1KMT2A
SCHEMBL2729457 0.83 CXCL8 (0.47) GAALMNATDP1KMT2AMEN1
SCHEMBL2729071 0.83 CXCL8 (0.47) GAALMNATDP1KMT2AMEN1
SCHEMBL214271 0.82 ALDH1A1 (0.45) GAALMNAALDH1A1TDP1KMT2A
SCHEMBL4296586 0.81 NLRP3 (0.47) GAALMNAALDH1A1KMT2AMEN1
SCHEMBL27836447 0.81 PDGFRB (0.43) GAALMNAALDH1A1KMT2AMEN1
SCHEMBL13885226 0.78 KMT2A (0.42) GAALMNAALDH1A1KMT2AL3MBTL1
Ethylene SCHEMBL7406931 0.78 HPGD (0.46) GAALMNAALDH1A1TDP1KMT2A
SCHEMBL7419247 0.77 SMN1; SMN2 (0.47) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL16397045 0.77 MTNR1A (0.43) GAALMNAL3MBTL1MGMTMAPT

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 10 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-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-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 GAA 4480/4885LMNA 3994/4885ALDH1A1 1284/4885
US-20060247230-A1 Novel Piperidine-Substituted Indoles CCR3, CCR1, CCR2 GAA 4748/4885LMNA 4228/4885ALDH1A1 643/4885

“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.