SCHEMBL13102993

SCHEMBL13102993

CCOC(=O)NCC1CCN(C)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TPSAB1 Q15661 1/20 0.40
▸ TPSD1 Q9BZJ3 1/20 0.40
▸ TPSG1 Q9NRR2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ACACB O00763 1/20 0.39
▸ ACACA Q13085 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ EPHX1 P07099 3/20 0.38
▸ EPHX2 P34913 3/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NCF1 P14598 1/20 0.37
▸ HTR4 Q13639 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ LMNA P02545 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
SCHEMBL14820352 0.92 DRD2 (0.44) ACACBACACANAMPTDRD2DRD3
SCHEMBL8392106 0.86 TDP1 (0.48) ACACBACACAEPHX1ALDH1A1CYP1A2
SCHEMBL13387503 0.86 TDP1 (0.48) ACACBACACAEPHX1ALDH1A1CYP1A2
SCHEMBL14252407 0.85 ACACB (0.43) TPSAB1TPSD1TPSG1ACACBACACA
SCHEMBL14421972 0.85 TPSAB1 (0.39) TPSAB1TPSD1TPSG1ACACBACACA
SCHEMBL21551362 0.84 TPSAB1 (0.43) TPSAB1TPSD1TPSG1MAPTACACB
SCHEMBL27006792 0.84 TPSAB1 (0.42) TPSAB1TPSD1TPSG1DRD2ALDH1A1
SCHEMBL8391167 0.82 CYP2D6 (0.44) EPHX1
SCHEMBL8392552 0.82 CYP2D6 (0.49) EPHX1
SCHEMBL8394599 0.81 EPHX1 (0.52) EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273765-A1 Rifamycin analogs and uses thereof ACTIVBIOTICS, INC. 2010-10-28 — — US disclosed
US-7271165-B2 Rifamycin analogs and uses thereof ACTIVBIOTICS, INC. (US) 2007-09-18 — — US disclosed
US-20070142392-A1 Uses of rifamycins ACTIVBIOTICS, INC. (US) 2007-06-21 — — 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 (2 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-20070142392-A1 Uses of rifamycins TNF, TLR6, IL6 TPSAB1 1436/4885TPSD1 3687/4885TPSG1 1174/4885
US-20100273765-A1 Rifamycin analogs and uses thereof RIF1, HDAC5, AADAC TPSAB1 2402/4885TPSD1 3869/4885TPSG1 2825/4885

“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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