SCHEMBL584117

SCHEMBL584117

CCOC(=O)c1cc(C)cc(N)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.62
LMNA P02545 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAOA P21397 1/20 0.59
CA12 O43570 3/20 0.56
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA7 P43166 3/20 0.56
CA9 Q16790 3/20 0.56
CA14 Q9ULX7 3/20 0.56
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL1278720 0.90 NPC1 (0.68) NPC1LMNACYP1A2CYP3A4MAOA
SCHEMBL2810136 0.90 NPC1 (0.68) NPC1LMNACYP1A2CYP3A4MAOA
SCHEMBL4859473 0.90 CA12 (0.67) NPC1LMNACYP1A2CYP3A4MAOA
Hydrochloric Acid SCHEMBL9156219 0.89 NPC1 (0.66) NPC1LMNACYP1A2CYP3A4MAOA
SCHEMBL265366 0.86 CA12 (0.67) NPC1LMNACYP1A2CYP3A4MAOA
SCHEMBL330220 0.84 NPC1 (0.60) NPC1LMNACYP1A2CYP3A4MAOA
SCHEMBL2725407 0.84 NPC1 (0.60) NPC1LMNACYP1A2CYP3A4MAOA
SCHEMBL6264809 0.84 CA12 (0.76) NPC1LMNACYP1A2CYP3A4MAOA
SCHEMBL29649183 0.84 NPC1 (0.60) NPC1LMNACYP1A2CYP3A4MAOA
SCHEMBL29944879 0.84 NPC1 (0.60) NPC1LMNACYP1A2CYP3A4MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417120-B1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-10-26 EP disclosed
CN-102388032-B Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INT 2015-01-14 CN disclosed
US-RE45323-E1 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 US disclosed
US-8653075-B2 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
US-8278302-B2 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-02 US disclosed
EP-2417120-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-02-15 EP disclosed
WO-2010115836-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 WO disclosed
US-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
EP-1178969-B1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-07-13 EP disclosed
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed
EP-1178969-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2002-02-13 EP disclosed
CN-1325385-A Gastrin and cholecystokinin receptor ligands BLACK JAMES FOUNDATION (GB) 2001-12-05 CN disclosed
WO-2000027823-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-18 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-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS CCR3, CCR1, CCR4 NPC1 341/4885LMNA 4657/4885CYP1A2 2935/4885
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists CCR3, CCR1, CCR4 NPC1 248/4885LMNA 4598/4885CYP1A2 2839/4885

“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.