SCHEMBL16198632

SCHEMBL16198632

C=CCn1nnnc1C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRD1 P41143 1/20 0.34
TP53 P04637 1/20 0.34
ALOX12 P18054 1/20 0.34
CYP19A1 P11511 1/20 0.33

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
SCHEMBL11778347 0.78 MAPK1 (0.69) MAPK1POLBKDM4ESMN1; SMN2LMNA
SCHEMBL11776322 0.78 MAPK1 (0.51) MAPK1POLBSMN1; SMN2LMNAALDH1A1
SCHEMBL16199152 0.77 RAB9A (0.41) MAPK1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL18839755 0.75 MAPK1 (0.44) MAPK1KDM4ERAB9ASMN1; SMN2LMNA
SCHEMBL9881652 0.74 MAPK1 (0.45) MAPK1KDM4ELMNAALDH1A1KMT2A
SCHEMBL6169210 0.74 MAPK1 (0.45) MAPK1KDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL18839913 0.74 MAPK1 (0.47) MAPK1KDM4ERAB9ASMN1; SMN2LMNA
SCHEMBL5954845 0.72 CYP19A1 (0.60) MAPK1POLBRAB9ASMN1; SMN2LMNA
SCHEMBL6580348 0.72 MAPK1 (0.47) MAPK1KDM4ELMNAALDH1A1HPGD
SCHEMBL9920433 0.72 MAPK1 (0.44) MAPK1SMN1; SMN2LMNAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981999-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-05-29 US disclosed
US-9981999-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-05-29 US disclosed
US-20170362260-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-12-21 US disclosed
US-20170362260-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-12-21 US disclosed
US-9683002-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-06-20 US disclosed
US-9683002-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-06-20 US disclosed
US-20160090393-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-03-31 US disclosed
US-20160090393-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-03-31 US disclosed
US-20150119571-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-04-30 US disclosed
US-20150119571-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-04-30 US disclosed
US-8871792-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-10-28 US disclosed
US-8871792-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-10-28 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-20150119571-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MAPK1 1308/4885POLB 3232/4885KDM4E 1265/4885
US-20160090393-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MAPK1 1308/4885POLB 3232/4885KDM4E 1265/4885
US-20170362260-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MAPK1 1308/4885POLB 3232/4885KDM4E 1265/4885

“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.