SCHEMBL1502332

SCHEMBL1502332

CC1(NC(=O)OCc2ccccc2)CNCCO1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
CTSB P07858 3/20 0.42
CTSS P25774 3/20 0.42
CTSL P07711 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CTSK P43235 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39

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
Valeric Acid SCHEMBL28174774 0.91 HTT (0.45) ALDH1A1CTSBCTSSCTSLCTSK
SCHEMBL28822049 0.79 HTT (0.43) ALDH1A1CTSBCTSSCTSLNPC1
SCHEMBL9837644 0.79 CTSB (0.47) ALDH1A1CTSBCTSSCTSLNPC1
SCHEMBL30793308 0.78 CTSL (0.48) ALDH1A1CTSBCTSSCTSLNPC1
Hydrochloric Acid SCHEMBL28650823 0.78 CTSB (0.46) ALDH1A1CTSBCTSSCTSLNPC1
SCHEMBL14650073 0.77 CTSS (0.48) ALDH1A1CTSBCTSSCTSLNPC1
SCHEMBL28693731 0.76 CTSS (0.50) ALDH1A1CTSBCTSSCTSLNPC1
SCHEMBL606307 0.76 CTSB (0.49) ALDH1A1CTSBCTSSCTSLNPC1
Hydrochloric Acid SCHEMBL606498 0.74 TLR2 (0.49) ALDH1A1CTSBCTSSCTSLNPC1
SCHEMBL25198329 0.73 CTSS (0.50) ALDH1A1CTSBCTSSCTSLNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2256114-B1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME DAINIPPON SUMITOMO PHARMA CO (JP) 2014-06-25 EP disclosed
US-7906510-B2 Amide derivative and pharmaceutical composition containing the same Dainippon Sumito Pharma Co., Ltd. (JP) 2011-03-15 US disclosed
EP-2256114-A1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-12-01 EP disclosed
US-20100249399-A1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Sumitomo Pharma Co., Ltd. (JP) 2010-09-30 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-20100249399-A1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME HTR4, MC2R, HTR1D ALDH1A1 2118/4885CTSB 3002/4885CTSS 2876/4885

“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.