SCHEMBL3600940

SCHEMBL3600940

CCCCC(O)(c1cccc(Cl)c1)C1CCCNC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 3/20 0.43
SCN9A Q15858 3/20 0.43
REN P00797 15/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1861227 1.00 SCN5A (0.43) SCN5ASCN9ARENMEN1KMT2A
SCHEMBL1861229 1.00 SCN5A (0.43) SCN5ASCN9ARENMEN1KMT2A
SCHEMBL12631881 0.97 SCN5A (0.47) SCN5ASCN9ARENMEN1KMT2A
SCHEMBL1868473 0.93 SCN5A (0.39) SCN5ASCN9AREN
SCHEMBL3598558 0.93 SCN5A (0.39) SCN5ASCN9AREN
SCHEMBL3598561 0.93 SCN5A (0.39) SCN5ASCN9AREN
SCHEMBL1866030 0.89 REN (0.46) RENMEN1KMT2A
SCHEMBL1866028 0.89 REN (0.46) RENMEN1KMT2A
SCHEMBL1867106 0.89 DRD2 (0.40) SCN5ASCN9ARENMEN1KMT2A
SCHEMBL1867108 0.89 DRD2 (0.40) SCN5ASCN9ARENMEN1KMT2A

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-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 US disclosed
US-7754737-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-07-13 US disclosed
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors VITAE PHARMACEUTICAL, INC (US) 2009-01-15 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 (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-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors DNPEP, PEPD, ACE SCN5A 3380/4885SCN9A 4229/4885REN 298/4885

“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.