SCHEMBL2020667

SCHEMBL2020667

Cc1ccccc1-c1nnc(N2CCCCC2CCc2ccccc2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.45
SLC18A2 Q05940 1/20 0.41
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
HIF1A Q16665 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPY5R Q15761 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL2022390 0.73 MAPT (0.45) HTTMAPTHIF1AL3MBTL1NPY5R
SCHEMBL9963995 0.66 SLC18A2 (0.68) SLC18A2
SCHEMBL10684415 0.65 SLC18A2 (0.61) SLC18A2
SCHEMBL4821176 0.64 SLC18A2 (0.49) SLC18A2
SCHEMBL4814627 0.64 SLC18A2 (0.49) SLC18A2
SCHEMBL10682307 0.62 MEN1 (0.62) SLC18A2
SCHEMBL2691261 0.62 SLC18A2 (0.70) SLC18A2
Lobelane SCHEMBL14178960 0.61 SLC18A2 (1.00) SLC18A2
Lobelane SCHEMBL14178962 0.61 SLC18A2 (1.00) SLC18A2
Lobelane SCHEMBL13845051 0.61 SLC18A2 (1.00) SLC18A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338591-B2 3-aryl-5,6-disubstituted pyridazines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-12-25 US claimed
US-8338591-B2 3-aryl-5,6-disubstituted pyridazines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-12-25 US disclosed
US-20110160187-A1 3-aryl-5,6-disubstituted pyridazines NEUROGEN CORPORATION (US) 2011-06-30 US disclosed
US-20110160187-A1 3-aryl-5,6-disubstituted pyridazines NEUROGEN CORPORATION (US) 2011-06-30 US disclosed
US-20110160187-A1 3-aryl-5,6-disubstituted pyridazines NEUROGEN CORPORATION (US) 2011-06-30 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 (1 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-20110160187-A1 3-aryl-5,6-disubstituted pyridazines MMP25, MMP9, MMP3 SMO 1379/4885SLC18A2 4188/4885HTT 3469/4885

“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.