SCHEMBL18824271

SCHEMBL18824271

CC(C)(C)OC(=O)NCCN1CCN(C(=O)O)[C@H](C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.47
DRD2 P14416 10/20 0.46
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
SIGMAR1 Q99720 3/20 0.40
ALDH1A1 P00352 1/20 0.39
GFER P55789 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
EPHX1 P07099 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL18824273 1.00 CACNA1H (0.47) CACNA1HDRD2MEN1GAAKMT2A
SCHEMBL376112 0.91 CACNA1H (0.47) CACNA1HDRD2MEN1GAAKMT2A
SCHEMBL31301242 0.79 DRD2 (0.63) CACNA1HDRD2MEN1GAAKMT2A
SCHEMBL6007685 0.76 SLC6A1 (0.46) CACNA1HDRD2MEN1KMT2AEPHX1
SCHEMBL6007677 0.76 SLC6A1 (0.46) CACNA1HDRD2MEN1KMT2AEPHX1
SCHEMBL376066 0.75 DRD2 (0.42) CACNA1HDRD2ALDH1A1GFERJAK2
SCHEMBL13202614 0.75 DRD2 (0.59) CACNA1HDRD2MEN1GAAKMT2A
SCHEMBL21273876 0.75 EPHX1 (0.43) CACNA1HDRD2MEN1GAAKMT2A
SCHEMBL24811481 0.75 CACNA1H (0.52) CACNA1HDRD2MEN1GAAKMT2A
SCHEMBL18233672 0.75 CACNA1H (0.49) CACNA1HDRD2MEN1GAAKMT2A

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-20180312493-A1 Antibiotic Compounds, Pharmaceutical Formulations Thereof And Methods And Uses Therefor CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2018-11-01 US disclosed
WO-2017075694-A1 ANTIBIOTIC COMPOUNDS, PHARMACEUTICAL FORMULATIONS THEREOF AND METHODS AND USES THEREFOR SIMON FRASER UNIVERSITY (CA) 2017-05-11 WO 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-20180312493-A1 Antibiotic Compounds, Pharmaceutical Formulations Thereof And Methods And Uses Therefor UGT1A8, CYP2C8, CXCL8 CACNA1H 4003/4885DRD2 4251/4885MEN1 521/4885

“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.