SCHEMBL15260451

SCHEMBL15260451

CCOC(=O)C1(C)CCN(c2nccc(Cl)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PANK3 Q9H999 1/20 0.46
▸ OPRM1 P35372 7/20 0.41
▸ BRD4 O60885 1/20 0.39
▸ OPRD1 P41143 3/20 0.38
▸ OPRK1 P41145 3/20 0.38
▸ SLC22A1 O15245 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ PTPN11 Q06124 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ IDE P14735 1/20 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
SCHEMBL28247431 0.83 CYP3A4 (0.50) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL15260220 0.81 MAPT (0.43) OPRM1BRD4OPRD1OPRK1SLC22A1
SCHEMBL15260026 0.81 TRPV1 (0.44) OPRM1OPRD1KCNH2
SCHEMBL15260216 0.77 RAB9A (0.47) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL1282238 0.75 OPRM1 (0.39) PANK3OPRM1OPRD1OPRK1SLC22A1
SCHEMBL15260099 0.75 PIK3CA (0.40) OPRM1BRD4OPRD1OPRK1SLC22A1
SCHEMBL3315322 0.75 CYP2C9 (0.51) KDM4E
SCHEMBL7386664 0.74 PANK3 (0.48) PANK3PTPN11KDM4E
SCHEMBL10235764 0.74 PIK3CA (0.50) OPRM1BRD4OPRD1OPRK1SLC22A1
SCHEMBL1283047 0.74 PIK3CA (0.47) OPRM1BRD4OPRD1OPRK1SLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170260178-A1 ANTIBACTERIAL COMPOUNDS SPERO GYRASE INC (US) 2017-09-14 — — US disclosed
US-20170260178-A1 ANTIBACTERIAL COMPOUNDS SPERO GYRASE INC (US) 2017-09-14 — — US disclosed
US-20170260178-A1 ANTIBACTERIAL COMPOUNDS SPERO GYRASE INC (US) 2017-09-14 — — US disclosed
EP-2828257-B1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD (GB) 2017-07-26 — — EP disclosed
EP-2828257-B1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD (GB) 2017-07-26 — — EP disclosed
US-9604976-B2 Antibacterial compounds SPERO GYRASE, INC. (US) 2017-03-28 — — US disclosed
US-9604976-B2 Antibacterial compounds SPERO GYRASE, INC. (US) 2017-03-28 — — US disclosed
US-9604976-B2 Antibacterial compounds SPERO GYRASE, INC. (US) 2017-03-28 — — US disclosed
US-20150329530-A1 ANTIBACTERIAL COMPUNDS SPERO GYRASE, INC. 2015-11-19 — — US disclosed
US-20150329530-A1 ANTIBACTERIAL COMPUNDS SPERO GYRASE, INC. 2015-11-19 — — US disclosed
US-20150329530-A1 ANTIBACTERIAL COMPUNDS SPERO GYRASE, INC. 2015-11-19 — — US disclosed
US-8906902-B2 Antibacterial compounds BIOTA EUROPE LIMITED (GB) 2014-12-09 — — US disclosed
US-8906902-B2 Antibacterial compounds BIOTA EUROPE LIMITED (GB) 2014-12-09 — — US disclosed
US-8906902-B2 Antibacterial compounds BIOTA EUROPE LIMITED (GB) 2014-12-09 — — US disclosed
US-20130252938-A1 Antibacterial Compounds BIOTA EUROPE LTD. (GB) 2013-09-26 — — US disclosed
US-20130252938-A1 Antibacterial Compounds BIOTA EUROPE LTD. (GB) 2013-09-26 — — US disclosed
US-20130252938-A1 Antibacterial Compounds BIOTA EUROPE LTD. (GB) 2013-09-26 — — 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 (3 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-20170260178-A1 ANTIBACTERIAL COMPOUNDS STS, PGLS, PEPD PANK3 1810/4885OPRM1 995/4885BRD4 3549/4885
US-20150329530-A1 ANTIBACTERIAL COMPUNDS STS, PEPD, PGLS PANK3 1010/4885OPRM1 1226/4885BRD4 3804/4885
US-20130252938-A1 Antibacterial Compounds STS, PGLS, PEPD PANK3 1810/4885OPRM1 995/4885BRD4 3549/4885

“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.

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