SCHEMBL16199152

SCHEMBL16199152

C=CCn1nnnc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP3A4 P08684 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL6948864 0.75 NPC1 (0.48) RAB9ASMN1; SMN2ALDH1A1MAPK1L3MBTL1
SCHEMBL4142949 0.75 ALDH1A1 (0.47) ALDH1A1HPGDMAPK1NPC1
SCHEMBL16198631 0.73 RAB9A (0.44) RAB9ASMN1; SMN2CYP3A4
SCHEMBL28712647 0.72 HSD17B10 (0.43) SMN1; SMN2ALDH1A1HPGDMAPK1NPC1
SCHEMBL15170828 0.72 RAB9A (0.38) RAB9ASMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL8924195 0.71
SCHEMBL6951940 0.70 TRPV1 (0.44) SMN1; SMN2ALDH1A1HPGDMAPK1NPC1
SCHEMBL6579797 0.70 MAPK1 (0.38) SMN1; SMN2ALDH1A1HPGDMAPK1NPC1
SCHEMBL9441451 0.70
SCHEMBL3244004 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20150119571-A1 NEPRILYSIN INHIBITORS MME, REN, ACE RAB9A 812/4885SMN1; SMN2 1013/4885ALDH1A1 2394/4885
US-20160090393-A1 NEPRILYSIN INHIBITORS MME, REN, ACE RAB9A 812/4885SMN1; SMN2 1013/4885ALDH1A1 2394/4885

“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.