SCHEMBL2806974

SCHEMBL2806974

CC(C)(C)N(Cc1ccc(Nc2ccc(F)cc2C#N)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.41
LRRK2 Q5S007 1/20 0.39
AR P10275 11/20 0.39
TAS2R14 Q9NYV8 1/20 0.38
CYP2C19 P33261 1/20 0.36
ABCB11 O95342 1/20 0.36
ALB P02768 1/20 0.36
PGR P06401 1/20 0.36
ADRA2C P18825 1/20 0.36
GHSR Q92847 1/20 0.36
NSD2 O96028 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL2808918 0.83 KMT2A (0.49) TAS2R14ALDH1A1LMNAMAPTHTT
SCHEMBL2809625 0.83 LRRK2 (0.36) TBXA2RLRRK2AR
Trifluoroacetic Acid SCHEMBL186078 0.78 LRRK2 (0.40) TBXA2RLRRK2ARTAS2R14LMNA
SCHEMBL3715325 0.75 LRRK2 (0.53) TBXA2RLRRK2ALDH1A1LMNAMAPT
SCHEMBL27853555 0.75 LRRK2 (0.46) LRRK2CYP2C19ALDH1A1LMNAMAPT
SCHEMBL31263735 0.73 GAA (0.54) LRRK2TAS2R14ALDH1A1LMNAMAPT
SCHEMBL1363869 0.72 MEN1 (0.44) ARALDH1A1LMNAHTT
SCHEMBL17701291 0.72 NSD2 (0.48) TAS2R14NSD2ALDH1A1LMNAHTT
SCHEMBL6150938 0.71 KDM4E (0.56) ALDH1A1MAPT
SCHEMBL2804886 0.71 AKT2 (0.39) LRRK2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 TBXA2R 405/4885LRRK2 2304/4885AR 1452/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 TBXA2R 405/4885LRRK2 2304/4885AR 1452/4885

“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.