SCHEMBL13626388

SCHEMBL13626388

C[C@@H]1CCC(=O)N1c1ccc(C(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 3/20 0.52
PTGER3 P43115 2/20 0.52
PTGDR Q13258 2/20 0.45
ACHE P22303 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CNR2 P34972 6/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
ABL1 P00519 2/20 0.37
HSD11B1 P28845 1/20 0.37
ABCB1 P08183 2/20 0.36

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
SCHEMBL12112294 1.00 PTGER2 (0.52) PTGER2PTGER3PTGDRACHEALDH1A1
SCHEMBL16480454 0.85 NPC1 (0.49) PTGER2PTGER3ALDH1A1CNR2CYP2C8
SCHEMBL13626380 0.83 CNR2 (0.45) PTGER2PTGER3PTGDRCNR2CYP2C8
SCHEMBL4636834 0.81 GAA (0.46) KMT2ACCNA2CDK2CCNA1SLC6A2
SCHEMBL13109278 0.80 PTGER2 (0.52) PTGER2PTGER3PTGDRALDH1A1CNR2
SCHEMBL12112292 0.80 PTGER2 (0.52) PTGER2PTGER3PTGDRALDH1A1CNR2
SCHEMBL25416662 0.79 ALDH1A1 (0.42) ALDH1A1KMT2ACCNA2CDK2CCNA1
SCHEMBL10131414 0.79 CYP3A4 (0.41) CYP2C9CYP2C19KMT2ACCNA2CDK2
SCHEMBL22658820 0.79 SLC6A2 (0.46) ACHEALDH1A1CNR2KMT2ACCNA2
SCHEMBL16480393 0.79 TDP1 (0.47) CNR2CYP2C19KMT2ACCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286787-A1 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2009-11-19 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-20090286787-A1 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS GLA, GUSB, GANAB PTGER2 3210/4885PTGER3 2745/4885PTGDR 1340/4885

“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.