SCHEMBL3602438

SCHEMBL3602438

CNC[C@H](CC1CCCCC1)NC(=O)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.55
CTSL P07711 6/20 0.51
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
REN P00797 11/20 0.46
CTSK P43235 3/20 0.46
CTSB P07858 1/20 0.44

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
SCHEMBL14987883 1.00 CTSS (0.55) CTSSCTSLPKMSMN1; SMN2REN
SCHEMBL5508515 0.90 REN (0.47) CTSSPKMSMN1; SMN2REN
SCHEMBL5509283 0.90 REN (0.47) CTSSPKMSMN1; SMN2REN
SCHEMBL1865703 0.89 REN (0.52) REN
SCHEMBL5503829 0.89 REN (0.52) REN
SCHEMBL1866281 0.89 REN (0.52) REN
SCHEMBL5509831 0.89 REN (0.52) REN
SCHEMBL5505794 0.89 REN (0.52) REN
SCHEMBL5509317 0.89 PKM (0.44) CTSSCTSLPKMSMN1; SMN2REN
SCHEMBL1867207 0.84 CTSS (0.54) CTSSCTSLPKMSMN1; SMN2REN

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-8487108-B2 Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
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
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 (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 CTSS 138/4885CTSL 82/4885PKM 2136/4885

“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.