SCHEMBL5373767

SCHEMBL5373767

Cc1ccnc(C)c1C(O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](N)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 6/20 0.41
CA2 P00918 1/20 0.41
BACE1 P56817 5/20 0.40
BCHE P06276 1/20 0.38
APP P05067 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
F2 P00734 1/20 0.37
CTSD P07339 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
SCHEMBL5373898 0.81 ATM (0.46) CA2BACE1APPPSEN1PSEN2
SCHEMBL5373760 0.80 ABCC3 (0.47) CCR1CA2BACE1BCHEAPP
SCHEMBL3804837 0.77 EPHX1 (0.47) CCR1BACE1APPPSEN1PSEN2
SCHEMBL3804839 0.77 EPHX1 (0.47) CCR1BACE1APPPSEN1PSEN2
SCHEMBL7789539 0.75 CTRB1 (0.49) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL7789551 0.75 CTRB1 (0.49) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3797469 0.74 CYP3A4 (0.48) BACE1BCHEAPPPSEN1PSEN2
SCHEMBL3797474 0.74 CYP3A4 (0.48) BACE1BCHEAPPPSEN1PSEN2
SCHEMBL5364962 0.74 CYP3A4 (0.46) CCR1CA2BACE1CTSD
SCHEMBL7387549 0.74 SCN4A (0.46) BACE1BCHEAPPPSEN1PSEN2

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-7279582-B2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2007-10-09 US disclosed
US-20030100755-A1 Retroviral protease inhibiting compounds ABBVIE INC. 2003-05-29 US disclosed
EP-1170289-A2 Retroviral protease inhibiting compounds Abbott Laboratories (US) 2002-01-09 EP disclosed
US-5914332-A NOVEL COMPOUNDS FOR USE AS HIV PROTEASE INHIBITORS IN TREATING HIV AND AIDS ABBOTT LABORATORIES (US) 1999-06-22 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-20030100755-A1 Retroviral protease inhibiting compounds SERPINB1, PREP, TMPRSS15 CCR1 1295/4885CA2 4302/4885BACE1 56/4885

“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.