SCHEMBL4028869

SCHEMBL4028869

CCC1CCCN1CCNC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
TSHR P16473 2/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 3/20 0.42
CACNA1H O95180 1/20 0.42
HSD17B10 Q99714 1/20 0.41
DRD2 P14416 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
OPRD1 P41143 1/20 0.39
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL17625378 0.89 EPHX1 (0.46) EPHX1TSHRMEN1KMT2AL3MBTL1
SCHEMBL14743649 0.87 ARG1 (0.47) EPHX1TSHRMEN1KMT2AALDH1A1
SCHEMBL14743650 0.87 ARG1 (0.47) EPHX1TSHRMEN1KMT2AALDH1A1
SCHEMBL18851527 0.86 EPHX1 (0.43) EPHX1TSHRALDH1A1CACNA1HDRD2
SCHEMBL28316678 0.83 HRH3 (0.51) EPHX1TSHRMEN1KMT2ACACNA1H
SCHEMBL29760194 0.83 HRH3 (0.51) EPHX1TSHRMEN1KMT2ACACNA1H
SCHEMBL29759987 0.83 HRH3 (0.51) EPHX1TSHRMEN1KMT2ACACNA1H
SCHEMBL24619420 0.83 TDP1 (0.49) EPHX1MEN1KMT2AHSD17B10DRD2
SCHEMBL24619422 0.83 TDP1 (0.49) EPHX1MEN1KMT2AHSD17B10DRD2
SCHEMBL18851365 0.81 EPHX1 (0.46) EPHX1TSHRMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015445-B1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES PROCTER & GAMBLE (US) 2009-02-25 EP disclosed
US-7482454-B2 Antimicrobial quinolones, their compositions, and uses THE PROCTER & GAMBLE COMPANY (US) 2009-01-27 US disclosed
US-20060100436-A1 Antimicrobial quinolones, their compositions, and uses WARNER CHILCOTT COMPANY, LLC 2006-05-11 US disclosed
US-6329391-B1 ANTIBIOTICS, BACTERICIDES USING QUINOLONES THE PROCTER & GAMBLE CO. 2001-12-11 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-20060100436-A1 Antimicrobial quinolones, their compositions, and uses Q6ZSR9, RECQL, QARS1 EPHX1 956/4885TSHR 1826/4885MEN1 2135/4885

“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.