SCHEMBL1863013

SCHEMBL1863013

CCOCCO[C@@H](c1ccccc1)c1cccc(C(=O)NC(CNC)CC2CCCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 17/20 0.53
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP3A4 P08684 1/20 0.41
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39

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
SCHEMBL1863010 1.00 REN (0.53) RENMEN1KMT2ATAAR1ALDH1A1
SCHEMBL1863007 1.00 REN (0.53) RENMEN1KMT2ATAAR1ALDH1A1
SCHEMBL1863953 1.00 REN (0.53) RENMEN1KMT2ATAAR1ALDH1A1
SCHEMBL1859108 0.96 REN (0.58) RENMEN1KMT2ATAAR1ALDH1A1
SCHEMBL1866114 0.96 REN (0.58) RENMEN1KMT2ATAAR1ALDH1A1
SCHEMBL1859111 0.96 REN (0.58) RENMEN1KMT2ATAAR1ALDH1A1
SCHEMBL1866111 0.96 REN (0.58) RENMEN1KMT2ATAAR1ALDH1A1
SCHEMBL1863288 0.89 REN (0.59) REN
SCHEMBL1863291 0.89 REN (0.59) REN
SCHEMBL1868456 0.89 REN (0.59) REN

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 2 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

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-20110105506-A1 Diaminoalkane aspartic protease inhibitors DNPEP, PEPD, ACE REN 298/4885MEN1 2596/4885KMT2A 2621/4885

“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.

Send feedback