SCHEMBL583546

SCHEMBL583546

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.59
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAOA P21397 1/20 0.56
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA7 P43166 3/20 0.53
CA9 Q16790 3/20 0.53
CA14 Q9ULX7 3/20 0.53
ESR1 P03372 2/20 0.44
ESR2 Q92731 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
TP53 P04637 1/20 0.43
MDM2 Q00987 1/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL2810136 0.87 NPC1 (0.68) NPC1LMNACYP1A2CYP3A4MAOA
SCHEMBL2662880 0.87 CA12 (0.62) NPC1LMNACYP1A2CYP3A4MAOA
SCHEMBL7589274 0.87 CA12 (0.62) NPC1LMNACYP1A2CYP3A4MAOA
SCHEMBL1278720 0.87 NPC1 (0.68) NPC1LMNACYP1A2CYP3A4MAOA
SCHEMBL11653955 0.87 ESR1 (0.49) NPC1LMNACYP1A2CYP3A4CA12
Hydrochloric Acid SCHEMBL9156219 0.85 NPC1 (0.66) NPC1LMNACYP1A2CYP3A4MAOA
SCHEMBL15615318 0.82 CA12 (0.56) NPC1LMNACYP1A2CYP3A4MAOA
SCHEMBL584117 0.82 NPC1 (0.62) NPC1LMNACYP1A2CYP3A4MAOA
SCHEMBL177003 0.82 ALDH1A1 (0.51) LMNACYP3A4CA12CA1CA2
SCHEMBL330220 0.81 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
US-20240199572-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING TYPE 2 DIABETES AND DEMENTIA NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-06-20 US disclosed
EP-4308554-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING TYPE 2 DIABETES AND DEMENTIA The Board of Trustees of the University of Illinois (US) 2024-01-24 EP disclosed
WO-2022197658-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING TYPE 2 DIABETES AND DEMENTIA THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2022-09-22 WO disclosed
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
CN-102388032-A Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INT 2012-03-21 CN 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
US-4104049-A Chlorine-substituted vinylaminobenzoic acid compounds and plant growth regulant compositions BAYER AKTIENGESELLSCHAFT (DE) 1978-08-01 US 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-20240199572-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING TYPE 2 DIABETES AND DEMENTIA SREBF2, SREBF1, SLC2A2 NPC1 17/4885LMNA 1105/4885CYP1A2 928/4885
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.