Cpp-115 Free Base

Cpp-115 Free Base

SCHEMBL12258069

N[C@@H]1C[C@@H](C(=O)O)CC1=C(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABAT P80404 3/20 1.00
OAT P04181 1/20 0.66
GABRR1 P24046 1/20 0.38
PLG P00747 1/20 0.32
PLAT P00750 1/20 0.32
LMNA P02545 1/20 0.32
SLC6A12 P48065 2/20 0.30
SLC6A11 P48066 2/20 0.30
SLC6A13 Q9NSD5 2/20 0.30

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
Cpp-115 Free Base SCHEMBL2408171 1.00 ABAT (1.00) ABATOATGABRR1PLGPLAT
Cpp-115 Free Base SCHEMBL21404893 1.00 ABAT (1.00) ABATOATGABRR1PLGPLAT
Cpp-115 Free Base SCHEMBL2411394 1.00 ABAT (1.00) ABATOATGABRR1PLGPLAT
Cpp-115 Free Base SCHEMBL2407298 1.00 ABAT (1.00) ABATOATGABRR1PLGPLAT
Cpp-115 Free Base SCHEMBL14687433 0.98 ABAT (0.96) ABATOATGABRR1PLGPLAT
Cpp-115 Free Base SCHEMBL15142226 0.98 ABAT (0.96) ABATOATGABRR1PLGPLAT
SCHEMBL17742869 0.82 ABAT (0.69) ABATOATGABRR1SLC6A12SLC6A11
SCHEMBL29317652 0.81 ABAT (0.68) ABATOATGABRR1PLGPLAT
SCHEMBL29276849 0.81 ABAT (0.68) ABATOATGABRR1PLGPLAT
SCHEMBL29318645 0.81 ABAT (0.68) ABATOATGABRR1PLGPLAT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822539-B2 Combination therapies: inhibitors of GABA transaminase and NKCC1 CHILDREN'S MEDICAL CENTER CORPORATION (US) 2014-09-02 US disclosed
US-8822539-B2 Combination therapies: inhibitors of GABA transaminase and NKCC1 CHILDREN'S MEDICAL CENTER CORPORATION (US) 2014-09-02 US disclosed
WO-2011126733-A2 COMBINATION THERAPIES: INHIBITORS OF GABA TRANSAMINASE AND NKCC1 CHILDREN'S MEDICAL CENTER CORPORATION (US) 2011-10-13 WO disclosed
US-20110237554-A1 Combination therapies: inhibitors of GABA transaminase and NKCC1 CHILDREN'S MEDICAL CENTER CORPORATION 2011-09-29 US disclosed
US-20110237554-A1 Combination therapies: inhibitors of GABA transaminase and NKCC1 CHILDREN'S MEDICAL CENTER CORPORATION 2011-09-29 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-20110237554-A1 Combination therapies: inhibitors of GABA transaminase and NKCC1 SLC6A1, SLC6A13, SLC6A11 ABAT 31/4885OAT 88/4885GABRR1 41/4885

“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.