SCHEMBL4903371

SCHEMBL4903371

CCCCCC1=NNc2ccccc2C=C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
LIPG Q9Y5X9 1/20 0.36
KCNH2 Q12809 1/20 0.35
TLR8 Q9NR97 1/20 0.34
GPR3 P46089 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
CETP P11597 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL4481007 0.83 MAPT (0.42) GAAMAPTKCNH2ALDH1A1
SCHEMBL5937307 0.78 L3MBTL1 (0.36) KCNH2NPC1ALDH1A1TDP1L3MBTL1
SCHEMBL8900868 0.78 GAA (0.38) GAAMAPTTLR8ALDH1A1
SCHEMBL8552747 0.75 GAA (0.43) GAAMAPT
SCHEMBL4788944 0.75 KCNH3 (0.38) GAAMAPTNPC1ALDH1A1
SCHEMBL8642184 0.74 KEAP1 (0.41) GAAMAPTALDH1A1
SCHEMBL11666346 0.73 GAA (0.33) GAAMAPT
SCHEMBL7449704 0.71 GAA (0.39) GAAMAPT
SCHEMBL7492328 0.71 GAA (0.39) GAAMAPT
Benzodiazepine SCHEMBL8530199 0.70 GAA (0.34) GAAMAPTLIPGKCNH2GPR3

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
EP-2888269-B1 HAPTENS OF OLANZAPINE JANSSEN PHARMACEUTICA NV (BE) 2018-10-24 EP disclosed
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-7214673-B2 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY (US) 2007-05-08 US disclosed
US-20060084643-A1 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY 2006-04-20 US disclosed
US-20050203296-A1 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY 2005-09-15 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 (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-20050203296-A1 For therapy of psychosis and bipolar disorder DRD4, AFF4, DRD2 GAA 3763/4885MAPT 2103/4885LIPG 4879/4885
US-20060084643-A1 Piperazine substituted aryl benzodiazepines GABBR1, GABBR2, GABRA5 GAA 2268/4885MAPT 1793/4885LIPG 4884/4885

“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.