SCHEMBL3638531

SCHEMBL3638531

C=CCC(CC1CCCCC1)C(=O)NC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 1/20 0.39
CTSK P43235 3/20 0.38
MMP1 P03956 3/20 0.36
MMP13 P45452 1/20 0.36
MMP3 P08254 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
METAP2 P50579 2/20 0.35
CTSS P25774 2/20 0.35
METAP1 P53582 1/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CCR1 P32246 2/20 0.34
REN P00797 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
SCHEMBL3774856 1.00 LTA4H (0.41) LTA4HALDH1A1KMT2ACTSKMMP1
SCHEMBL13500185 0.98 LTA4H (0.39) LTA4HALDH1A1KMT2ACTSKMMP1
SCHEMBL13500184 0.95 MMP1 (0.36) LTA4HALDH1A1KMT2ACTSKMMP1
SCHEMBL13500187 0.92 MMP1 (0.33) LTA4HALDH1A1KMT2ACTSKMMP1
SCHEMBL13499646 0.84 LTA4H (0.47) LTA4HALDH1A1KMT2ACTSKMMP1
SCHEMBL13463206 0.83 EPHX1 (0.38) LTA4HALDH1A1KMT2ACTSKNPSR1
SCHEMBL13501734 0.83 LTA4H (0.40) LTA4HALDH1A1KMT2ACTSKMMP1
SCHEMBL13435000 0.82 CPB2 (0.40) LTA4HALDH1A1KMT2ACTSKNPSR1
SCHEMBL19817274 0.82 GRIK1 (0.46) LTA4H
SCHEMBL432458 0.82 GRIK1 (0.46) LTA4H

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-20100317697-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-12-16 US disclosed
EP-2167609-A1 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2010-03-31 EP disclosed
WO-2009096996-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-08-06 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 (1 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-20100317697-A1 Renin Inhibitors REN, ACE, SERPINB1 LTA4H 929/4885ALDH1A1 1056/4885KMT2A 3759/4885

“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.