SCHEMBL2020941

SCHEMBL2020941

Cc1cc(C)c(-c2nnc(OCC3CCCN3)c3ccccc23)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 1/20 0.46
CHRNB4 P30926 3/20 0.44
CHRNA3 P32297 3/20 0.44
LTA4H P09960 2/20 0.43
CHRNA5 P30532 1/20 0.42
PRKCI P41743 2/20 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
SCHEMBL2017269 0.82 NPSR1 (0.51) POLBNPSR1
SCHEMBL2020971 0.73 NPSR1 (0.41) POLBNPSR1
SCHEMBL10326450 0.72 LTA4H (0.54) CHRNA3LTA4H
SCHEMBL10326451 0.72 LTA4H (0.54) CHRNA3LTA4H
SCHEMBL10326294 0.72 LTA4H (0.54) CHRNA3LTA4H
SCHEMBL30181400 0.70 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA5
SCHEMBL29007951 0.70 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA5
SCHEMBL29007952 0.70 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA5
SCHEMBL2024209 0.69 CRHR1 (0.41) NPSR1
Hydrochloric Acid SCHEMBL30181372 0.69 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA5

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 POLB 2540/4885NPSR1 1138/4885CHRNB2 4577/4885

“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.