SCHEMBL1795210

SCHEMBL1795210

O=C(O)[C@@H]1C[C@@H](OC(=O)N2CCCCC2)CN1C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PREP P48147 3/20 0.44
AGTR2 P50052 2/20 0.44
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42

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
SCHEMBL8175192 0.89 FKBP1A (0.47) SMN1; SMN2NPC1RAB9ANPSR1PREP
SCHEMBL10174845 0.85 TMEM97 (0.48) SMN1; SMN2NPC1RAB9A
SCHEMBL11390766 0.85 ALDH1A1 (0.48) SMN1; SMN2NPC1RAB9APREPAGTR2
SCHEMBL11390768 0.85 ALDH1A1 (0.48) SMN1; SMN2NPC1RAB9APREPAGTR2
SCHEMBL8481532 0.84 POLB (0.47) SMN1; SMN2NPC1RAB9APREPAGTR2
SCHEMBL11387330 0.84 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19PREP
SCHEMBL11387333 0.84 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19PREP
SCHEMBL19221747 0.83 SLC6A2 (0.48) SMN1; SMN2NPC1RAB9AKMT2AAGTR2
SCHEMBL29921 0.82 AGTR2 (0.56) SMN1; SMN2NPC1RAB9AAGTR2
SCHEMBL6515997 0.82 AGTR2 (0.56) SMN1; SMN2NPC1RAB9AAGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338469-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2012-12-25 US disclosed
US-8338469-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2012-12-25 US disclosed
US-8338469-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2012-12-25 US disclosed
US-20110257077-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-10-20 US disclosed
US-20110257077-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-10-20 US disclosed
US-20110257077-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-10-20 US disclosed
US-7951823-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2011-05-31 US disclosed
US-7951823-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2011-05-31 US disclosed
US-7951823-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2011-05-31 US disclosed
EP-2027143-A2 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2009-02-25 EP disclosed
WO-2007137080-A2 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2007-11-29 WO disclosed
WO-2007137080-A2 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2007-11-29 WO disclosed
US-20070275906-A1 Compounds and Compositions as Channel Activating Protease Inhibitors IRM LLC (BM) 2007-11-29 US disclosed
US-20070275906-A1 Compounds and Compositions as Channel Activating Protease Inhibitors IRM LLC (BM) 2007-11-29 US disclosed
US-20070275906-A1 Compounds and Compositions as Channel Activating Protease Inhibitors IRM LLC (BM) 2007-11-29 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-20110257077-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS PRSS1, PRSS8, PRSS2 SMN1; SMN2 1942/4885NPC1 726/4885RAB9A 3044/4885
US-20070275906-A1 Compounds and Compositions as Channel Activating Protease Inhibitors PRSS1, PRSS8, PRSS2 SMN1; SMN2 1942/4885NPC1 726/4885RAB9A 3044/4885

“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.