SCHEMBL3451002

SCHEMBL3451002

CN(C)c1ccc(C(=O)N2CC[N]CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.51
ABL1 P00519 6/20 0.51
BCR P11274 6/20 0.51
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 3/20 0.50
GPR183 P32249 1/20 0.50
CNR2 P34972 1/20 0.49
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NAMPT P43490 1/20 0.46
AVPR2 P30518 1/20 0.46
AVPR1A P37288 1/20 0.46

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
SCHEMBL24783903 0.86 HPGD (0.68) L3MBTL3ALDH1A1MAPTHPGDGPR183
SCHEMBL2455541 0.84 HPGD (0.71) L3MBTL3ALDH1A1MAPTHPGDCNR2
SCHEMBL1376416 0.83 GPR183 (0.53) L3MBTL3ABL1BCRALDH1A1MAPT
SCHEMBL2091419 0.82 ALDH1A1 (0.65) ALDH1A1MAPTHPGDKDM4EHTT
SCHEMBL1374701 0.81 SIGMAR1 (0.62) L3MBTL3ABL1BCRALDH1A1MAPT
SCHEMBL2458249 0.81 PHGDH (0.63) ALDH1A1MAPTHPGDKDM4EHTT
SCHEMBL11390513 0.79 GPR183 (0.50) L3MBTL3ABL1BCRALDH1A1MAPT
SCHEMBL2678249 0.79 CNR2 (0.58) L3MBTL3ABL1BCRALDH1A1HPGD
SCHEMBL2091763 0.79 HPGD (0.52) L3MBTL3ALDH1A1HPGD
SCHEMBL2097737 0.79 HPGD (0.70) L3MBTL3ABL1BCRALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820818-B2 Heteroaryl nitrile derivatives NOVARTIS AG (CH) 2010-10-26 US disclosed
US-20090227596-A1 HETEROARYL NITRILE DERIVATIVES NOVARTIS AG (CH) 2009-09-10 US disclosed
US-7544688-B2 Hetereoaryl nitrile derivatives NOVARTIS AG (CH) 2009-06-09 US disclosed
EP-1537111-B1 HETEREOARYL NITRILE DERIVATIVES NOVARTIS AG (CH) 2007-05-02 EP disclosed
US-20060142575-A1 Hetereoaryl nitrile derivatives NOVARTIS AG (CH) 2006-06-29 US disclosed
EP-1537111-A1 HETEREOARYL NITRILE DERIVATIVES Novartis AG (CH) 2005-06-08 EP disclosed
WO-2004020441-A1 HETEREOARYL NITRILE DERIVATIVES NOVARTIS AG (CH) 2004-03-11 WO 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 (2 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-20090227596-A1 HETEROARYL NITRILE DERIVATIVES CTSK, CTSS, CTSZ L3MBTL3 4637/4885ABL1 183/4885BCR 615/4885
US-20060142575-A1 Hetereoaryl nitrile derivatives CTSK, CTSZ, CTSE L3MBTL3 4580/4885ABL1 612/4885BCR 498/4885

“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.