SCHEMBL1859947

SCHEMBL1859947

OC(CCCC1CC1)(c1cccc(F)c1)[C@@H]1CCCNC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.38
ACP1 P24666 8/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRM3 P20309 1/20 0.37
CHEK1 O14757 2/20 0.33
CDK2AP1 O14519 1/20 0.33
SLC6A2 P23975 1/20 0.33
MELK Q14680 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
SCHEMBL1861328 1.00 REN (0.38) RENACP1MEN1KMT2ACHRM3
SCHEMBL1859948 1.00 REN (0.38) RENACP1MEN1KMT2ACHRM3
SCHEMBL1861330 1.00 REN (0.38) RENACP1MEN1KMT2ACHRM3
SCHEMBL3597925 0.86 REN (0.40) RENMEN1KMT2ACHRM3
SCHEMBL1867383 0.86 REN (0.40) RENMEN1KMT2ACHRM3
SCHEMBL1867384 0.86 REN (0.40) RENMEN1KMT2ACHRM3
SCHEMBL3597921 0.86 REN (0.40) RENMEN1KMT2ACHRM3
SCHEMBL1864217 0.85 CYP2D6 (0.45) MEN1KMT2ACHRM3SLC6A2
SCHEMBL1860521 0.85 CYP2D6 (0.45) MEN1KMT2ACHRM3SLC6A2
SCHEMBL1864215 0.85 CYP2D6 (0.45) MEN1KMT2ACHRM3SLC6A2

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 4 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

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 298/4885ACP1 391/4885MEN1 2596/4885
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors DNPEP, PEPD, ACE REN 298/4885ACP1 391/4885MEN1 2596/4885

“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.