SCHEMBL2160349

SCHEMBL2160349

COC(=O)c1ccc(CCCCN)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PRNP P04156 1/20 0.47
RECQL P46063 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NPSR1 Q6W5P4 2/20 0.45
PPARG P37231 1/20 0.45
NCOA2 Q15596 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PARP1 P09874 1/20 0.41
FAAH O00519 1/20 0.39

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
SCHEMBL2160994 0.95 HPGD (0.51) HPGDLMNAALDH1A1PRNPRECQL
Hydrochloric Acid SCHEMBL5725652 0.94 HPGD (0.50) HPGDLMNAALDH1A1PRNPRECQL
SCHEMBL2412998 0.92 HPGD (0.50) HPGDLMNAALDH1A1PRNPRECQL
Hydrochloric Acid SCHEMBL2410455 0.90 HPGD (0.49) HPGDLMNAALDH1A1PRNPRECQL
SCHEMBL27621806 0.86 HPGD (0.55) HPGDLMNAALDH1A1PRNPRECQL
SCHEMBL2162982 0.86 HPGD (0.55) HPGDLMNAALDH1A1PRNPRECQL
SCHEMBL7211528 0.84 HPGD (0.57) HPGDLMNAALDH1A1PRNPRECQL
SCHEMBL6981207 0.84 HPGD (0.57) HPGDLMNAALDH1A1PRNPRECQL
SCHEMBL2162296 0.84 HPGD (0.52) HPGDLMNAALDH1A1PRNPRECQL
SCHEMBL7211399 0.84 HPGD (0.54) HPGDLMNAALDH1A1PRNPRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528908-B1 THERAPEUTIC AGENTS FOR TREATMENT OF OCULAR HYPERTENSION ALLERGAN INC (US) 2019-03-13 EP disclosed
US-9090584-B2 Therapeutic agents for treatment of ocular hypertension ALLERGAN, INC. (US) 2015-07-28 US disclosed
EP-2528908-A1 THERAPEUTIC AGENTS FOR TREATMENT OF OCULAR HYPERTENSION Allergan, Inc. (US) 2012-12-05 EP disclosed
US-8198318-B2 Therapeutic amides ALLERGEN, INC. (US) 2012-06-12 US disclosed
US-8198318-B2 Therapeutic amides ALLERGEN, INC. (US) 2012-06-12 US disclosed
WO-2011094231-A1 THERAPEUTIC AGENTS FOR TREATMENT OF OCULAR HYPERTENSION ALLERGAN, INC. (US) 2011-08-04 WO disclosed
US-20110184055-A1 THERAPEUTIC AGENTS FOR TREATMENT OF OCULAR HYPERTENSION ALLERGAN, INC. (US) 2011-07-28 US disclosed
US-7985767-B2 Glaucoma or ocular hypertension; selective prostaglandin EP2 agonists; carboxy-functional amides or sulfonamide and carboxy bioisosteres thereof; 5-(-3-(N-(4-(1-hydroxyhexyl)phenyl)acetamido)butyl)thiophene-2-carboxylic acid for example ALLERGAN, INC. (US) 2011-07-26 US disclosed
US-20090239858-A1 THERAPEUTIC AMIDES ALLERGAN, INC. (US) 2009-09-24 US disclosed
US-20090239858-A1 THERAPEUTIC AMIDES ALLERGAN, INC. (US) 2009-09-24 US disclosed
US-20080119539-A1 THERAPEUTIC AMIDES ALLERGAN, INC. 2008-05-22 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-20080119539-A1 THERAPEUTIC AMIDES GOT2, GOT1, ARG2 HPGD 233/4885LMNA 3086/4885ALDH1A1 357/4885
US-20090239858-A1 THERAPEUTIC AMIDES ACER2, SLC10A1, ASAH2 HPGD 702/4885LMNA 2912/4885ALDH1A1 1121/4885
US-20110184055-A1 THERAPEUTIC AGENTS FOR TREATMENT OF OCULAR HYPERTENSION PTGIR, PTGIS, AGTR2 HPGD 98/4885LMNA 3581/4885ALDH1A1 857/4885

“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.