SCHEMBL9971024

SCHEMBL9971024

CC(C)(C)OC(=O)NNCc1ccc(Br)cc1F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 5/20 0.48
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AKR1B1 P15121 3/20 0.41
P2RX7 Q99572 2/20 0.41
MAPT P10636 2/20 0.39
AKR1A1 P14550 1/20 0.39
USP30 Q70CQ3 1/20 0.39
GAA P10253 1/20 0.39
BDKRB1 P46663 1/20 0.38

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
SCHEMBL31047861 1.00 AAK1 (0.48) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL506329 0.86 AAK1 (0.50) AAK1AKR1B1P2RX7AKR1A1BDKRB1
SCHEMBL4090969 0.83 EGFR (0.45) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL31047882 0.83 AAK1 (0.47) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL31047823 0.82 AAK1 (0.43) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL25416693 0.82 APLNR (0.41) AAK1GAA
SCHEMBL15145787 0.81 P2RX7 (0.49) AAK1AKR1B1P2RX7AKR1A1BDKRB1
SCHEMBL6232571 0.81 RIPK1 (0.50) NPC1RAB9AMAPTGAA
SCHEMBL31047887 0.81 AAK1 (0.41) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL2552330 0.79 AAK1 (0.50) AAK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873696-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-01-23 US disclosed
US-9873696-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-01-23 US disclosed
US-20170217959-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-08-03 US disclosed
US-20170217959-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-08-03 US disclosed
US-9555041-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-01-31 US disclosed
US-9555041-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-01-31 US disclosed
US-20160184316-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-06-30 US disclosed
US-20160184316-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-06-30 US disclosed
US-9120758-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-09-01 US disclosed
US-9120758-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-09-01 US disclosed
EP-2651900-B1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R & D IP LLC (US) 2015-08-19 EP disclosed
US-20140011997-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2014-01-09 US disclosed
US-20140011997-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2014-01-09 US disclosed
US-8563512-B2 Neprilysin inhibitors THERAVANCE, INC. (US) 2013-10-22 US disclosed
US-8563512-B2 Neprilysin inhibitors THERAVANCE, INC. (US) 2013-10-22 US disclosed
US-20120157386-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-06-21 US disclosed
US-20120157386-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-06-21 US disclosed
WO-2012082857-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-06-21 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 (4 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-20140011997-A1 NEPRILYSIN INHIBITORS MME, REN, ACE AAK1 2570/4885NPC1 194/4885RECQL 1203/4885
US-20160184316-A1 NEPRILYSIN INHIBITORS MME, REN, ACE AAK1 2570/4885NPC1 194/4885RECQL 1203/4885
US-20120157386-A1 NEPRILYSIN INHIBITORS MME, REN, ACE AAK1 2570/4885NPC1 194/4885RECQL 1203/4885
US-20170217959-A1 NEPRILYSIN INHIBITORS MME, REN, ACE AAK1 2570/4885NPC1 194/4885RECQL 1203/4885

“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.