SCHEMBL4890948

SCHEMBL4890948

CCc1cccc(N=C(C)c2cccc(C(C)=Nc3cccc(CC)c3CC)n2)c1CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
GABRA1 P14867 4/20 0.36
GABRB2 P47870 4/20 0.36
SIGMAR1 Q99720 3/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
TAAR1 Q96RJ0 2/20 0.33
HTR1A P08908 1/20 0.33
KDM4E B2RXH2 4/20 0.32
ALOX15 P16050 2/20 0.32
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
ACMSD Q8TDX5 1/20 0.32

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
SCHEMBL5144785 0.87 SIGMAR1 (0.45) CYP1A2GABRA1GABRB2SIGMAR1GRIN2D
SCHEMBL5144787 0.87 SIGMAR1 (0.45) CYP1A2GABRA1GABRB2SIGMAR1GRIN2D
SCHEMBL7195143 0.87 KDM4E (0.49) CYP1A2KDM4ETDP1LMNANPC1
SCHEMBL7145153 0.86 SIGMAR1 (0.44) CYP1A2GABRA1GABRB2SIGMAR1GRIN2D
SCHEMBL5588333 0.86 SIGMAR1 (0.44) CYP1A2GABRA1GABRB2SIGMAR1GRIN2D
Bromide SCHEMBL28770855 0.84 SIGMAR1 (0.43) CYP1A2GABRA1GABRB2SIGMAR1GRIN2D
SCHEMBL21113707 0.82 SIGMAR1 (0.41) CYP1A2GABRA1GABRB2SIGMAR1GRIN2D
SCHEMBL4883854 0.80 GABRA1 (0.43) CYP1A2GABRA1GABRB2KCNH2SCN5A
SCHEMBL4883849 0.80 GABRA1 (0.43) CYP1A2GABRA1GABRB2KCNH2SCN5A
Hydrochloric Acid SCHEMBL7175505 0.79 GABRA1 (0.42) CYP1A2GABRA1GABRB2KCNH2SCN5A

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-20080021180-A1 CHROMIUM CATALYSTS ACTIVE IN OLEFIN POLYMERIZATION REPSOL QUIMICA, S.A. 2008-01-24 US disclosed
EP-1325924-B1 Chromium catalysts active in olefin polymerisation REPSOL QUIMICA SA (ES) 2005-03-16 EP disclosed
US-20040087434-A1 Chromium catalysts active in olefin polymerization REPSOL QUIMICA, S.A. (ES) 2004-05-06 US disclosed
EP-1325924-A1 Chromium catalysts active in olefin polymerisation REPSOL QUIMICA S.A. (ES) 2003-07-09 EP disclosed
EP-1325925-A1 Chromium catalysts active in olefin polymerization REPSOL QUIMICA S.A. (ES) 2003-07-09 EP 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-20040087434-A1 Chromium catalysts active in olefin polymerization CBR1, SCO2, CBR3 CYP1A2 1555/4885GABRA1 4149/4885GABRB2 3947/4885

“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.