SCHEMBL719286

SCHEMBL719286

CNC(=O)C1(C)CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 1/20 0.45
FFAR3 O14843 1/20 0.33
CYP1A2 P05177 1/20 0.33
CCR2 P41597 1/20 0.33
KHK P50053 1/20 0.32
DRD2 P14416 1/20 0.32
CYP3A4 P08684 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.30

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
Hydrochloric Acid SCHEMBL17848601 0.98 KDM4E (0.44) KDM4EKMT2AFFAR3CYP1A2CCR2
SCHEMBL29640099 0.87 KDM4E (0.38) KDM4EKMT2AFFAR3CYP3A4SMN1; SMN2
SCHEMBL8567866 0.83
SCHEMBL31057956 0.82 KDM4E (0.41) KDM4EKMT2AFFAR3CYP1A2CCR2
SCHEMBL13747397 0.78 KDM4E (0.38) KDM4EKMT2AFFAR3CYP1A2CCR2
SCHEMBL23199626 0.78 CETP (0.42) FFAR3CCR2DRD2CYP3A4SMN1; SMN2
SCHEMBL10224418 0.78
SCHEMBL24025620 0.77 KMT2A (0.38) KDM4EKMT2ACYP1A2CCR2KHK
SCHEMBL25229077 0.77 ALDH1A1 (0.40) KDM4EKMT2AFFAR3CYP1A2CCR2
SCHEMBL25221272 0.77 CYP1A2 (0.49) KDM4EKMT2AFFAR3CYP1A2CCR2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117062818-A Novel SOS1 inhibitor and preparation method and application thereof 南京再明医药有限公司 2023-11-14 CN disclosed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2023-05-11 US disclosed
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2023-05-11 US disclosed
WO-2022184116-A1 NEW SOS1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏先声药业有限公司 2022-09-09 WO disclosed
WO-2022161461-A1 SOS1 INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 江苏先声药业有限公司 2022-08-04 WO disclosed
WO-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021127328-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
US-10633336-B2 Dopamine D2 receptor ligands THE BROAD INSTITUTE, INC. (US) 2020-04-28 US disclosed
US-20180155283-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2018-06-07 US disclosed
US-20180155283-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2018-06-07 US disclosed
WO-2017096045-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. (US) 2017-06-08 WO disclosed
EP-3091012-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF Centrexion Therapeutics Corporation (US) 2016-11-09 EP disclosed
US-9067951-B2 Process and intermediates for the production of CCR2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-30 US disclosed
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-13 US disclosed
US-8835440-B2 Cyclic pyrimidin-4-carboxamides as CCR2 receptor antagonists for treatment of inflammation, asthma and COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
US-20130324517-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-05 US disclosed
US-20120053164-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-01 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 (7 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-20120053164-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD CCR2, CCR1, CCR5 KDM4E 3994/4885KMT2A 2199/4885FFAR3 156/4885
US-20180155283-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, DRD3, ARRB1 KDM4E 4433/4885KMT2A 2955/4885FFAR3 374/4885
US-10633336-B2 Dopamine D2 receptor ligands DRD2, ARRB1, DRD3 KDM4E 4325/4885KMT2A 2861/4885FFAR3 305/4885
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 KDM4E 4204/4885KMT2A 2003/4885FFAR3 308/4885
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS CCR2, CCR5, CCR1 KDM4E 4650/4885KMT2A 4077/4885FFAR3 241/4885
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS SREBF1, SREBF2, NR1H3 KDM4E 2203/4885KMT2A 2461/4885FFAR3 394/4885
US-20130324517-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD CCR2, CCR5, CCR1 KDM4E 3028/4885KMT2A 1768/4885FFAR3 239/4885

“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.