SCHEMBL720691

SCHEMBL720691

OCC1CCN(c2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.54
BPTF Q12830 1/20 0.46
MBTD1 Q05BQ5 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DPP4 P27487 2/20 0.44
CYP2D6 P10635 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
MCL1 Q07820 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
ADRB1 P08588 1/20 0.42

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
SCHEMBL21135739 0.89 CYP2D6 (0.52) NOTUMMBTD1L3MBTL3L3MBTL1CYP2D6
SCHEMBL21135447 0.89 CYP2D6 (0.52) NOTUMMBTD1L3MBTL3L3MBTL1CYP2D6
SCHEMBL6648521 0.89 CYP2D6 (0.52) NOTUMMBTD1L3MBTL3L3MBTL1CYP2D6
SCHEMBL987932 0.89 MBTD1 (0.52) NOTUMMBTD1L3MBTL3L3MBTL1HRH3
SCHEMBL7801882 0.86 NOTUM (0.51) NOTUMBPTFMBTD1L3MBTL3L3MBTL1
SCHEMBL31411596 0.84 BPTF (0.48) NOTUMBPTFCYP2D6MAPTHTR3E
SCHEMBL13735219 0.82 MAPT (0.43) NOTUMBPTFL3MBTL1KDM4EALDH1A1
SCHEMBL21136628 0.82 NOTUM (0.55) NOTUMALDH1A1MAPTHTR3EHTR3B
SCHEMBL6271661 0.82 NOTUM (0.55) NOTUMALDH1A1MAPTHTR3EHTR3B
SCHEMBL15652597 0.82 MAPT (0.43) NOTUMBPTFL3MBTL1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119330982-A Azetidine compound and medical application thereof 中国科学院上海药物研究所 2025-01-21 CN disclosed
US-9102673-B2 Substituted pyrrolo[3,2-c]pyridines as TrkA kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-08-11 US 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-20140155413-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. 2014-06-05 US disclosed
EP-2731439-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF Merck Sharp & Dohme Corp. (US) 2014-05-21 EP 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
WO-2013009582-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2013-01-17 WO 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
CN-87103693-A Quinoline-3-carboxylic acid derivatives and its preparation and application 1988-03-30 CN 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 (4 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 NOTUM 3397/4885BPTF 1543/4885MBTD1 3592/4885
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS CCR2, CCR5, CCR1 NOTUM 3873/4885BPTF 2644/4885MBTD1 3552/4885
US-20140155413-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF NGF, NGFR, NTRK2 NOTUM 3867/4885BPTF 975/4885MBTD1 2512/4885
US-20130324517-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD CCR2, CCR5, CCR1 NOTUM 3728/4885BPTF 1773/4885MBTD1 2740/4885

“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.