SCHEMBL10119377

SCHEMBL10119377

CC(C)CCCC[C@@H]1CCCN1C(=O)OCC(C)C

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.57
HTT P42858 1/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
POLB P06746 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
HCRTR2 O43614 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
REN P00797 1/20 0.33
ACE P12821 1/20 0.33

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
SCHEMBL10120835 0.90 RAB9A (0.61) RAB9AHTTTSHRALDH1A1GAA
SCHEMBL10141474 0.89 RAB9A (0.57) RAB9AHTTTSHRALDH1A1GAA
SCHEMBL8800154 0.84 RAB9A (0.53) RAB9AHTTTSHRALDH1A1GAA
SCHEMBL14898563 0.83 RAB9A (0.50) RAB9AHTTPOLBMEN1KMT2A
SCHEMBL14898564 0.83 RAB9A (0.50) RAB9AHTTPOLBMEN1KMT2A
SCHEMBL4576862 0.81 RAB9A (0.64) RAB9AHTTTSHRALDH1A1GAA
SCHEMBL3360692 0.81 RAB9A (0.64) RAB9AHTTTSHRALDH1A1GAA
SCHEMBL1146693 0.81 RAB9A (0.56) RAB9AHTTTSHRALDH1A1GAA
SCHEMBL9978245 0.77 RAB9A (0.58) RAB9AHTTTSHRALDH1A1GAA
SCHEMBL4541731 0.77 RAB9A (0.58) RAB9AHTTTSHRALDH1A1GAA

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-9127021-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-09-08 US disclosed
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 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-20110250172-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 RAB9A 3036/4885HTT 4444/4885TSHR 4687/4885
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 RAB9A 3036/4885HTT 4444/4885TSHR 4687/4885

“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.