SCHEMBL606983

SCHEMBL606983

CC1(NC(=O)OCc2ccccc2)CCN(C(=O)C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.46
CTSS P25774 3/20 0.46
CTSL P07711 2/20 0.46
CCR1 P32246 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HTT P42858 1/20 0.43
CTSK P43235 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ELANE P08246 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
DPP4 P27487 1/20 0.41
KCNH2 Q12809 1/20 0.41
DPP7 Q9UHL4 1/20 0.41

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
SCHEMBL3331774 0.91 CTSL (0.47) CTSBCTSSCTSLCCR1NPC1
SCHEMBL28996339 0.90 CYP2D6 (0.50) CTSBCTSSCTSLCCR1NPC1
SCHEMBL608382 0.89 L3MBTL1 (0.53) CTSBCTSSCTSLCCR1NPC1
SCHEMBL14417796 0.88 CTSL (0.45) CTSBCTSSCTSLCCR1NPC1
SCHEMBL10191097 0.87 CTSL (0.48) CTSBCTSSCTSLNPC1RAB9A
SCHEMBL14417806 0.86 CTSL (0.44) CTSBCTSSCTSLCCR1NPC1
SCHEMBL14743992 0.86 CTSL (0.54) CTSBCTSSCTSLNPC1RAB9A
SCHEMBL21858202 0.86 CTSB (0.46) CTSBCTSSCTSLCCR1NPC1
SCHEMBL29995488 0.85 OPRM1 (0.46) CTSBCTSSCTSLCCR1NPC1
SCHEMBL14417792 0.85 CTSL (0.46) CTSBCTSSCTSLNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040897-A1 NOVEL DERIVATIVES OF ACYL CYANOPYRROLIDINES SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2012-02-16 US disclosed
US-20120040897-A1 NOVEL DERIVATIVES OF ACYL CYANOPYRROLIDINES SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2012-02-16 US disclosed
US-20120040897-A1 NOVEL DERIVATIVES OF ACYL CYANOPYRROLIDINES SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2012-02-16 US disclosed
EP-2231687-A2 NOVEL DERIVATIVES OF ACYL CYANOPYRROLIDINES Sun Pharma Advanced Research Company Limited (IN) 2010-09-29 EP disclosed
WO-2009116067-A2 NOVEL DERIVATIVES OF ACYL CYANOPYRROLIDINES SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2009-09-24 WO 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-20120040897-A1 NOVEL DERIVATIVES OF ACYL CYANOPYRROLIDINES NR1D2, STARD10, NR1D1 CTSB 4379/4885CTSS 3303/4885CTSL 2497/4885

“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.