SCHEMBL15745595

SCHEMBL15745595

CN1CCN(C)C(C(=O)NN)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.37
KCNH2 Q12809 1/20 0.37
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP1A2 P05177 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL12110072 0.82 CCR2 (0.38) CCR2KCNH2MMP1MMP3MMP7
SCHEMBL4403104 0.78 BCHE (0.39) CCR2KCNH2MMP1MMP3MMP7
SCHEMBL16311957 0.78 TSHR (0.40) CCR2KCNH2MMP1MMP3MMP7
SCHEMBL13448669 0.78 CCR2 (0.37) CCR2KCNH2MMP1MMP3MMP7
SCHEMBL26430078 0.78
SCHEMBL16003094 0.78 CCR2 (0.37) CCR2KCNH2MMP1MMP3MMP7
SCHEMBL14754513 0.78 CCR2 (0.37) CCR2KCNH2MMP1MMP3MMP7
SCHEMBL27271348 0.77 CCR2 (0.38) CCR2KCNH2MMP1MMP3MMP7
SCHEMBL10125636 0.75 CCR2 (0.38) CCR2KCNH2MMP1MMP3MMP7
SCHEMBL13197230 0.75 CYP1A2 (0.39) CCR2KCNH2MMP1MMP3MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9381200-B2 Nitrogen containing compounds WOCKHARDT LIMITED (IN) 2016-07-05 US disclosed
US-20150328201-A1 NITROGEN CONTAINING COMPOUNDS WOCKHARDT LIMITED (IN) 2015-11-19 US disclosed
US-9132133-B2 Nitrogen containing compounds WOCKHARDT LTD. (IN) 2015-09-15 US disclosed
US-20150174133-A1 NITROGEN CONTAINING COMPOUNDS WOCKHARDT LIMITED (IN) 2015-06-25 US disclosed
US-8987297-B2 Nitrogen containing compounds WOCKHARDT LTD. (IN) 2015-03-24 US disclosed
US-20150005285-A1 Nitrogen containing compounds WOCKHARDT LIMITED (IN) 2015-01-01 US disclosed
US-8853197-B1 Nitrogen containing compounds WOCKHARDT LTD. (IN) 2014-10-07 US disclosed
US-20140275018-A1 NITROGEN CONTAINING COMPOUNDS WOCKHARDT LIMITED (IN) 2014-09-18 US disclosed
US-8822450-B2 1,6-diazabicyclo [3,2,1] octan-7-one derivatives and their use in the treatment of bacterial infections WOCKHARDT LTD. (IN) 2014-09-02 US disclosed
US-20140148431-A1 1,6- Diazabicyclo [3,2,1] octan-7-one derivatives and their use in the treatment of bacterial infections WOCKHARDT LIMITED (IN) 2014-05-29 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 (5 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-20150174133-A1 NITROGEN CONTAINING COMPOUNDS NOS2, NOS1, NCF1 CCR2 1420/4885KCNH2 1985/4885MMP1 770/4885
US-20150005285-A1 Nitrogen containing compounds NOS2, NOS1, NCF1 CCR2 1420/4885KCNH2 1985/4885MMP1 770/4885
US-20140148431-A1 1,6- Diazabicyclo [3,2,1] octan-7-one derivatives and their use in the treatment of bacterial infections ODC1, AOC1, CASP7 CCR2 1153/4885KCNH2 741/4885MMP1 829/4885
US-20150328201-A1 NITROGEN CONTAINING COMPOUNDS NOS2, NOS1, NCF1 CCR2 1420/4885KCNH2 1985/4885MMP1 770/4885
US-20140275018-A1 NITROGEN CONTAINING COMPOUNDS NOS2, NOS1, NCF1 CCR2 1420/4885KCNH2 1985/4885MMP1 770/4885

“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.