SCHEMBL708118

SCHEMBL708118

CC(O)CN1CCC(N(C(=O)O)C(C)(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.36
SLC6A3 Q01959 1/20 0.36
OPRM1 P35372 2/20 0.33
PIK3CD O00329 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
SCHEMBL1305394 0.81 SMN1; SMN2 (0.44) OPRM1
SCHEMBL28851436 0.78 UBE2M (0.38)
SCHEMBL707384 0.78 SLC18A3 (0.38) CCR5SLC6A3OPRM1
SCHEMBL1306676 0.78 HRH3 (0.41) OPRM1
SCHEMBL17095965 0.77 OPRM1 (0.39) CCR5SLC6A3OPRM1
SCHEMBL3839394 0.77 TP53 (0.37) CCR5SLC6A3OPRM1
SCHEMBL3888064 0.77 GNAI3 (0.38) CCR5SLC6A3OPRM1
SCHEMBL17095677 0.77 OPRM1 (0.40) CCR5OPRM1
SCHEMBL2523790 0.77 CCR5 (0.37) CCR5OPRM1
SCHEMBL2523794 0.77 CCR5 (0.37) CCR5OPRM1

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-8124602-B2 Compounds for the treatment of multi-drug resistant bacterial infections ASTRAZENECA AB (SE) 2012-02-28 US disclosed
US-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2011-04-21 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-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK CCR5 2739/4885SLC6A3 4368/4885OPRM1 2772/4885

“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.