SCHEMBL6207334

SCHEMBL6207334

COCCC(O)CN(CC(=O)O)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.40
PPARG P37231 3/20 0.39
MAPK1 P28482 2/20 0.39
RORC P51449 1/20 0.39
PPARA Q07869 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
NR1H3 Q13133 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL6800845 0.89 POLB (0.52) POLBNPC1ALDH1A1MAPTCYP1A2
SCHEMBL6793937 0.89 POLB (0.52) POLBNPC1ALDH1A1MAPTCYP1A2
SCHEMBL6793942 0.89 POLB (0.52) POLBNPC1ALDH1A1MAPTCYP1A2
SCHEMBL6994848 0.81 POLB (0.49) POLBNPC1ALDH1A1MAPTCYP1A2
SCHEMBL5369171 0.76 POLB (0.60) POLBNPC1ALDH1A1MAPTCYP1A2
SCHEMBL8542907 0.76 POLB (0.60) POLBNPC1ALDH1A1MAPTCYP1A2
SCHEMBL6079619 0.75 POLB (0.50) POLBNPC1ALDH1A1MAPTCYP1A2
SCHEMBL212272 0.75 AKR1B1 (0.52) NPC1ALDH1A1NPSR1TSHRMEN1
SCHEMBL28559612 0.74 POLB (0.46) POLBNPC1ALDH1A1MAPTCYP1A2
SCHEMBL29338696 0.74 POLB (0.48) POLBNPC1ALDH1A1MAPTCYP1A2

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-1315720-B1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA (DE) 2005-07-06 EP disclosed
US-6740651-B2 TREATING PARTICULARLY TUMORAL DISEASES, DISEASES OF THE LUNGS AND RESPIRATORY TRACT. BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-05-25 US disclosed
EP-1315720-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma KG (DE) 2003-06-04 EP disclosed
US-20020115675-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-22 US disclosed
WO-2002018376-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-03-07 WO 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-20020115675-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases MAP3K1, MAP3K20, MAP3K19 POLB 3555/4885NPC1 4390/4885ALDH1A1 2059/4885

“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.