SCHEMBL1860481

SCHEMBL1860481

COCCCO[C@@H](c1cccc(F)c1)C1CCCNC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.48
SLC6A2 P23975 5/20 0.42
SLC6A4 P31645 5/20 0.42
SLC6A3 Q01959 5/20 0.42
CYP2D6 P10635 1/20 0.40

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
SCHEMBL3593314 1.00 REN (0.48) RENSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL1860476 1.00 REN (0.48) RENSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL1860479 1.00 REN (0.48) RENSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL1866805 0.90 REN (0.49) RENSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL1866803 0.90 REN (0.49) RENSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL1866804 0.90 REN (0.49) RENSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL1863932 0.86 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL1861808 0.86 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL1861807 0.86 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL1861806 0.86 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3

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 6 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-20110105506-A1 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. 2011-05-05 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
EP-1807078-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-07-18 EP disclosed
WO-2006042150-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-04-20 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 (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-20110105506-A1 Diaminoalkane aspartic protease inhibitors DNPEP, PEPD, ACE REN 298/4885SLC6A2 3389/4885SLC6A4 3809/4885
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors DNPEP, PEPD, ACE REN 298/4885SLC6A2 3389/4885SLC6A4 3809/4885

“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.