SCHEMBL10141474

SCHEMBL10141474

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

nearest known ligand 0.57

Predicted protein targets (top 19)

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
S1PR1 P21453 3/20 0.40
S1PR3 Q99500 3/20 0.40
S1PR5 Q9H228 3/20 0.40
POLB P06746 1/20 0.38
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
S1PR4 O95977 1/20 0.36
HCRTR2 O43614 1/20 0.35
GBA2 Q9HCG7 1/20 0.35
DPP4 P27487 1/20 0.35
FAP Q12884 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35

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
SCHEMBL14898563 0.94 RAB9A (0.50) RAB9AHTTS1PR1S1PR3S1PR5
SCHEMBL14898564 0.94 RAB9A (0.50) RAB9AHTTS1PR1S1PR3S1PR5
SCHEMBL10119377 0.89 RAB9A (0.57) RAB9AHTTTSHRALDH1A1GAA
SCHEMBL10142030 0.87 S1PR1 (0.45) RAB9AALDH1A1GAAS1PR1S1PR3
SCHEMBL10120835 0.85 RAB9A (0.61) RAB9AHTTTSHRALDH1A1GAA
SCHEMBL8800154 0.84 RAB9A (0.53) RAB9AHTTTSHRALDH1A1GAA
SCHEMBL17627000 0.82 S1PR1 (0.48) ALDH1A1S1PR1S1PR3S1PR5
SCHEMBL3360692 0.81 RAB9A (0.64) RAB9AHTTTSHRALDH1A1GAA
SCHEMBL4576862 0.81 RAB9A (0.64) RAB9AHTTTSHRALDH1A1GAA
SCHEMBL1146693 0.81 RAB9A (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.