SCHEMBL18626432

SCHEMBL18626432

CCOC(=O)[C@H](CN)C[C@H](N)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 7/20 0.47
▸ PPARG P37231 4/20 0.46
▸ EPHX2 P34913 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SRR Q9GZT4 2/20 0.45
▸ PSAT1 Q9Y617 2/20 0.45
▸ PPARA Q07869 3/20 0.42
▸ GPR88 Q9GZN0 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ ACE P12821 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CTSH P09668 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ CTSC P53634 1/20 0.41

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
SCHEMBL11969895 0.90 MME (0.52) MMEPPARGEPHX2MEN1NPC1
SCHEMBL14919221 0.90 MME (0.52) MMEPPARGEPHX2MEN1NPC1
SCHEMBL16930634 0.88 CTSK (0.46) MMEPPARGEPHX2MEN1NPC1
SCHEMBL16930437 0.88 MME (0.48) MMEPPARGEPHX2MEN1NPC1
SCHEMBL16930474 0.88 MME (0.46) MMEPPARGEPHX2MEN1NPC1
SCHEMBL18626429 0.85 MME (0.49) MMEPPARGEPHX2MEN1NPC1
SCHEMBL18874737 0.85 MME (0.49) MMEPPARGEPHX2MEN1NPC1
SCHEMBL24404055 0.84 GPR88 (0.49) MMESRRPSAT1GPR88MMP8
SCHEMBL9929510 0.84 MME (0.53) MMEPPARGSRRPSAT1PPARA
SCHEMBL597164 0.84 GPR88 (0.49) MMESRRPSAT1GPR88MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005740-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-06-26 — — US disclosed
US-20180118696-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-05-03 — — US disclosed
US-9783507-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-10-10 — — US disclosed
US-20170137388-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-05-18 — — US disclosed
US-9593110-B2 Neprilysin inhibitors Theravence Biopharma R&D IP, LLC (US) 2017-03-14 — — 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-10005740-B2 Neprilysin inhibitors MME, REN, AGTR1 MME 1/4885PPARG 4858/4885EPHX2 1795/4885
US-20180118696-A1 NEPRILYSIN INHIBITORS MME, REN, AGTR1 MME 1/4885PPARG 4858/4885EPHX2 1795/4885
US-20170137388-A1 NEPRILYSIN INHIBITORS MME, REN, AGTR1 MME 1/4885PPARG 4858/4885EPHX2 1795/4885

“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.

Send feedback