SCHEMBL1708063

SCHEMBL1708063

CCOC(=O)C1CCN(Cc2ccccc2)CC1C

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
ATM Q13315 1/20 0.57
S1PR5 Q9H228 1/20 0.54
ALDH1A1 P00352 4/20 0.53
CCR8 P51685 1/20 0.53
KDM4E B2RXH2 5/20 0.52
LTA4H P09960 1/20 0.50
MAPT P10636 1/20 0.49

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
Hydrochloric Acid SCHEMBL22660180 0.89 L3MBTL1 (0.56) L3MBTL1ATMALDH1A1CCR8KDM4E
SCHEMBL1717631 0.88 USP30 (0.55) L3MBTL1ATMS1PR5ALDH1A1CCR8
SCHEMBL1717630 0.88 USP30 (0.55) L3MBTL1ATMS1PR5ALDH1A1CCR8
SCHEMBL14791219 0.88 USP30 (0.55) L3MBTL1ATMS1PR5ALDH1A1CCR8
SCHEMBL14791220 0.88 USP30 (0.55) L3MBTL1ATMS1PR5ALDH1A1CCR8
SCHEMBL24555862 0.88 USP30 (0.55) L3MBTL1ATMS1PR5ALDH1A1CCR8
SCHEMBL6673714 0.88 USP30 (0.55) L3MBTL1ATMS1PR5ALDH1A1CCR8
SCHEMBL4862883 0.88 L3MBTL1 (0.57) L3MBTL1ATMALDH1A1CCR8KDM4E
SCHEMBL1282973 0.87 S1PR5 (0.53) S1PR5LTA4H
SCHEMBL21748601 0.86 L3MBTL1 (0.56) L3MBTL1ATMALDH1A1CCR8KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020239077-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2020-12-03 WO disclosed
US-9663522-B2 3-aminocycloalkyl compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2017-05-30 US disclosed
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
WO-2012045124-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS BIOTA EUROPE LTD (GB) 2012-04-12 WO disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 US disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 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-20120088750-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NISCH, LSS L3MBTL1 3411/4885ATM 4553/4885S1PR5 4675/4885

“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.