SCHEMBL813232

SCHEMBL813232

CCc1cccc(CC)c1C(N)CN([Ni])CC(N)c1c(CC)cccc1CC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.38
GABRB2 P47870 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TAAR1 Q96RJ0 2/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
HTR1A P08908 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL815600 0.83 GABRA1 (0.39) GABRA1GABRB2L3MBTL1LMNASMN1; SMN2
SCHEMBL813829 0.81 GABRA1 (0.38) GABRA1GABRB2L3MBTL1LMNASMN1; SMN2
SCHEMBL813514 0.77 GABRA1 (0.34) GABRA1GABRB2L3MBTL1LMNASMN1; SMN2
SCHEMBL816114 0.77 GABRA1 (0.34) GABRA1GABRB2L3MBTL1LMNASMN1; SMN2
SCHEMBL813263 0.77 GABRA1 (0.38) GABRA1GABRB2L3MBTL1LMNASMN1; SMN2
SCHEMBL813389 0.77 GABRA1 (0.34) GABRA1GABRB2L3MBTL1LMNASMN1; SMN2
SCHEMBL814126 0.77 GABRA1 (0.34) GABRA1GABRB2L3MBTL1LMNASMN1; SMN2
SCHEMBL816148 0.77 SCN4A (0.40) LMNA
SCHEMBL5167903 0.76 GABRA1 (0.43) GABRA1GABRB2L3MBTL1LMNASMN1; SMN2
SCHEMBL813604 0.74 GABRA1 (0.38) GABRA1GABRB2L3MBTL1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066776-A1 Catalyst composition II SOLAN GREGORY A 2007-03-22 US claimed
US-7189791-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-03-13 US claimed
US-20040266961-A1 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-30 US claimed
US-8058372-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-11-15 US disclosed
US-20080319147-A1 Catalyst Composition II EXXONMOBIL CHEMICAL PATENTS INC. 2008-12-25 US disclosed
US-7371803-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-05-13 US disclosed
US-20070066776-A1 Catalyst composition II SOLAN GREGORY A 2007-03-22 US disclosed
US-7189791-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-03-13 US disclosed
US-20040266961-A1 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-30 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-20040266961-A1 Catalyst composition II MLX, CBX2, BMX GABRA1 4178/4885GABRB2 3205/4885L3MBTL1 1218/4885

“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.