SCHEMBL1906296

SCHEMBL1906296

Clc1ccc(Br)cc1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NR3C1 P04150 2/20 0.41
CCR5 P51681 1/20 0.40
G6PC1 P35575 1/20 0.39
GBA1 P04062 2/20 0.38
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
TSHR P16473 1/20 0.38
PIK3CD O00329 1/20 0.38
LMNA P02545 1/20 0.38
PIK3R1 P27986 1/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
BCHE P06276 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 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
SCHEMBL1904647 0.80 BCL2A1 (0.42) SMN1; SMN2ALDH1A1NR3C1CCR5LMNA
SCHEMBL5002861 0.79 NR3C1 (0.47) SMN1; SMN2ALDH1A1NR3C1CCR5GBA1
SCHEMBL1907350 0.79 GBA1 (0.41) SMN1; SMN2ALDH1A1NR3C1CCR5GBA1
SCHEMBL1906063 0.79 G6PC1 (0.39) ALDH1A1NR3C1G6PC1NR1H2NR1H3
SCHEMBL29013279 0.77 NR3C1 (0.46) SMN1; SMN2ALDH1A1NR3C1NR1H2NR1H3
SCHEMBL12930943 0.76 TMEM97 (0.42) SMN1; SMN2ALDH1A1NR3C1GBA1NR1H2
SCHEMBL1904348 0.76 ENPP2 (0.39) G6PC1NR1H2NR1H3TSHRMEN1
SCHEMBL21177971 0.74 CCR5 (0.53) SMN1; SMN2ALDH1A1CCR5GBA1TSHR
SCHEMBL31233607 0.74 CCR5 (0.53) SMN1; SMN2ALDH1A1CCR5GBA1TSHR
SCHEMBL12497153 0.73 CYP19A1 (0.46) ALDH1A1NR3C1MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018414-B2 Substituted 3-phenylpropionic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 US disclosed
US-9018414-B2 Substituted 3-phenylpropionic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 US disclosed
US-9018414-B2 Substituted 3-phenylpropionic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 US disclosed
US-20140142069-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-22 US disclosed
US-20140142069-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-22 US disclosed
US-20140142069-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-22 US disclosed
EP-2493845-B1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER IP GMBH (DE) 2013-12-25 EP disclosed
CN-102712577-A Substituted 3-phenylpropionic acids and the use thereof BAYER SCHERING PHARMA AG 2012-10-03 CN disclosed
EP-2493845-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2012-09-05 EP disclosed
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 US disclosed
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 US disclosed
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 US disclosed
WO-2011051165-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-05 WO disclosed
WO-2011051165-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-05 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 (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-20140142069-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH SMN1; SMN2 3173/4885ALDH1A1 431/4885NR3C1 1961/4885
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH SMN1; SMN2 3173/4885ALDH1A1 431/4885NR3C1 1961/4885

“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.