SCHEMBL7383261

SCHEMBL7383261

CC(C)(C)OC(=O)C(N)[C@H]1CCNC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRB2 P47870 2/20 0.33
SLC6A12 P48065 2/20 0.33
SLC6A11 P48066 2/20 0.33
SLC6A13 Q9NSD5 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRR1 P24046 1/20 0.33
GABRA4 P48169 1/20 0.33
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 3/20 0.32
NOS1 P29475 2/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
BRPF1 P55201 1/20 0.31
CPN1 P15169 2/20 0.30
CPB2 Q96IY4 2/20 0.30
DPP4 P27487 2/20 0.30
HRH3 Q9Y5N1 1/20 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
SCHEMBL7390438 1.00 SLC6A1 (0.33) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL4312543 1.00 SLC6A1 (0.33) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL20594016 0.91 CPN1 (0.41) SLC6A1SLC6A11SLC6A13NOS2CPN1
SCHEMBL1919959 0.91 CPN1 (0.41) SLC6A1SLC6A11SLC6A13NOS2CPN1
SCHEMBL20594008 0.91 CPN1 (0.41) SLC6A1SLC6A11SLC6A13NOS2CPN1
SCHEMBL854892 0.90 DPP4 (0.37) GABRA5GABRB2GABRA1GABRA4SLC6A2
SCHEMBL2001522 0.86 NOS1 (0.34) NOS1NOS3NOS2
SCHEMBL25337412 0.85 BRPF1 (0.32) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL29940301 0.85 NOS1 (0.33) NOS1NOS3NOS2
SCHEMBL28103000 0.82 CPN1 (0.31) SLC6A1GABRA5GABRB2SLC6A12SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200190083-A1 LIBRARIES OF PYRIDINE-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CYCLENIUM PHARMA INC. (CA) 2020-06-18 US disclosed
US-5864039-A THERAPEUTIC TREATMENT OF VARIOUS GASTROINTESTINAL DISEASES, CENTRAL NERVOUS DISORDERS, CARDIOVASCULAR DISORDERS, URINARY DISEASES, UROGENITAL DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-01-26 US disclosed
EP-0774460-A1 BENZOIC ACID COMPOUND AND USE THEREOF AS MEDICINE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-05-21 EP 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-20200190083-A1 LIBRARIES OF PYRIDINE-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME VDR, TRPM8, TRPM7 SLC6A1 597/4885GABRA5 681/4885GABRB2 448/4885

“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.