SCHEMBL4149003

SCHEMBL4149003

CC(C)(C)OC(=O)n1c(CN)nc2cc(Cl)ccc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 7/20 0.44
NR1H2 P55055 1/20 0.43
BACE1 P56817 4/20 0.39
DPP4 P27487 1/20 0.38
KMT2A Q03164 1/20 0.38
ROCK2 O75116 1/20 0.37
CHEK2 O96017 1/20 0.37
PRKACA P17612 1/20 0.37
RPS6KA3 P51812 1/20 0.37
PAK1 Q13153 1/20 0.37
ROCK1 Q13464 1/20 0.37
DYRK1A Q13627 1/20 0.37
PRKD2 Q9BZL6 1/20 0.37

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
SCHEMBL6221657 0.89 TBXA2R (0.47) TBXA2RNR1H2BACE1KMT2AROCK2
SCHEMBL22955468 0.81 TBXA2R (0.41) TBXA2RNR1H2BACE1KMT2AROCK2
SCHEMBL2332608 0.79 BACE1 (0.42) TBXA2RNR1H2BACE1KMT2A
SCHEMBL30828711 0.79 BRD4 (0.44) TBXA2R
SCHEMBL6224033 0.79 BRD4 (0.44) TBXA2R
SCHEMBL18764834 0.77 FAAH (0.42) TBXA2RNR1H2
SCHEMBL4385302 0.76 TBXA2R (0.46) TBXA2R
SCHEMBL6737502 0.76 BRD4 (0.42) NR1H2KMT2A
SCHEMBL18765270 0.75 BRD4 (0.46) TBXA2RNR1H2
SCHEMBL13588903 0.74 TBXA2R (0.41) TBXA2RNR1H2

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-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 US disclosed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US disclosed
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 US disclosed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 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 (3 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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 TBXA2R 25/4885NR1H2 992/4885BACE1 1335/4885
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions F11, F12, F2 TBXA2R 97/4885NR1H2 1115/4885BACE1 203/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 TBXA2R 43/4885NR1H2 1171/4885BACE1 384/4885

“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.