SCHEMBL103848

SCHEMBL103848

Cc1ccc(C2CCNCC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HTR2C P28335 6/20 0.43
KDM5A P29375 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
HRH4 Q9H3N8 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SLC18A3 Q16572 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
PDE10A Q9Y233 1/20 0.38
HTR1A P08908 1/20 0.38

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
SCHEMBL2636364 0.89 CCR1 (0.41) CCR1CCR5CCR8HDAC6HTR2C
SCHEMBL827646 0.86 CCR1 (0.52) CCR1CCR5CCR8HDAC6KDM5A
Ammonia Solution, Strong SCHEMBL17820158 0.84 CCR1 (0.50) CCR1CCR5CCR8HDAC6KDM5A
Ethoxycarbonyl Group SCHEMBL27544059 0.83 DRD2 (0.37) HTR2CKDM5AOPRM1OPRL1DRD2
SCHEMBL23331881 0.82 CCR1 (0.48) CCR1CCR5CCR8HDAC6KDM5A
SCHEMBL12093753 0.82 CCR1 (0.48) CCR1CCR5CCR8HDAC6KDM5A
SCHEMBL15122188 0.81 PDE10A (0.48) CCR1CCR5CCR8HDAC6KDM5A
SCHEMBL14842094 0.81 CCR1 (0.46) CCR1CCR5CCR8HDAC6KDM5A
SCHEMBL13490652 0.80 CHRM2 (0.45)
SCHEMBL20624050 0.79 CCR1 (0.45) CCR1CCR5CCR8HDAC6KDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4289835-A1 CDK INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2023-12-13 EP disclosed
US-11352357-B2 Cycloalkylurea derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-06-07 US disclosed
US-20220081441-A1 CYCLOALKYLUREA DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-03-17 US disclosed
US-20220033380-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS Astellas Engineered Small Molecules US, Incorporated 2022-02-03 US disclosed
US-11034670-B2 Poly-ADP ribose polymerase (PARP) inhibitors MITOBRIDGE, INC. (US) 2021-06-15 US disclosed
US-20200071299-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS Astellas Engineered Small Molecules US, Incorporated 2020-03-05 US disclosed
EP-3008045-B1 ANTIBACTERIAL THIAZOLECARBOXYLIC ACIDS ANTABIO SAS (FR) 2018-05-09 EP disclosed
US-9914712-B2 Antibacterial thiazolecarboxylic acids ANTABIO SAS (FR) 2018-03-13 US disclosed
US-9914712-B2 Antibacterial thiazolecarboxylic acids ANTABIO SAS (FR) 2018-03-13 US disclosed
US-20160272601-A1 Antibacterial Thiazolecarboxylic Acids ANTABIO SAS (FR) 2016-09-22 US disclosed
US-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them FUJIFILM FINECHEMICALS CO., LTD 2010-02-04 US disclosed
US-7632950-B2 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2009-12-15 US disclosed
US-7632950-B2 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2009-12-15 US disclosed
US-7632950-B2 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2009-12-15 US disclosed
US-20080119515-A1 Heterocyclic Kinase Inhibitors: Methods of Use and Synthesis SCHERING CORPORATION 2008-05-22 US disclosed
US-20080119515-A1 Heterocyclic Kinase Inhibitors: Methods of Use and Synthesis SCHERING CORPORATION 2008-05-22 US disclosed
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2007-04-26 US disclosed
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2007-04-26 US disclosed
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2007-04-26 US disclosed
EP-1657240-A1 PYRIDYLTETRAHYDROPYRIDINES, PYRIDYLPIPERIDINES, AND PROCESS FOR THE PRODUCTION OF BOTH FUJIFILM FINECHEMICALS CO., LTD. (JP) 2006-05-17 EP 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 (9 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-20220033380-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP11 CCR1 2971/4885CCR5 1547/4885CCR8 3688/4885
US-11034670-B2 Poly-ADP ribose polymerase (PARP) inhibitors PARP1, PARP2, PARP11 CCR1 2971/4885CCR5 1547/4885CCR8 3688/4885
US-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them QDPR, HRH4, HRH2 CCR1 1133/4885CCR5 221/4885CCR8 1506/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 CCR1 1133/4885CCR5 232/4885CCR8 1550/4885
US-20160272601-A1 Antibacterial Thiazolecarboxylic Acids ME1, TALDO1, COASY CCR1 736/4885CCR5 2345/4885CCR8 2293/4885
US-20080119515-A1 Heterocyclic Kinase Inhibitors: Methods of Use and Synthesis MAP3K20, MAP3K1, MAP3K19 CCR1 3462/4885CCR5 3154/4885CCR8 3786/4885
US-11352357-B2 Cycloalkylurea derivative HCRTR2, HCRTR1, CRHR2 CCR1 447/4885CCR5 678/4885CCR8 765/4885
US-20200071299-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP11 CCR1 2971/4885CCR5 1547/4885CCR8 3688/4885
US-20220081441-A1 CYCLOALKYLUREA DERIVATIVE HCRTR2, HCRTR1, CRHR2 CCR1 447/4885CCR5 678/4885CCR8 765/4885

“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.