SCHEMBL607996

SCHEMBL607996

COCC1(NC(=O)OCc2ccccc2)CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.46
CTSS P25774 3/20 0.46
TLR2 O60603 2/20 0.46
CTSL P07711 2/20 0.46
HTR2C P28335 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TACR1 P25103 1/20 0.42
CTSK P43235 2/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 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
SCHEMBL29420342 0.91 CTSL (0.50) CTSBCTSSCTSLNPC1RAB9A
SCHEMBL646194 0.88 CTSS (0.54) CTSBCTSSCTSLNPC1RAB9A
Hydrochloric Acid SCHEMBL19641048 0.86 TLR2 (0.47) CTSBCTSSTLR2CTSLNPC1
SCHEMBL3333808 0.86 TLR2 (0.47) CTSBCTSSTLR2CTSLNPC1
SCHEMBL3339610 0.86 TLR2 (0.47) CTSBCTSSTLR2CTSLNPC1
SCHEMBL584639 0.85 MEN1 (0.47) CTSBCTSSCTSLNPC1RAB9A
SCHEMBL605067 0.85 TLR2 (0.45) CTSBCTSSTLR2CTSLNPC1
SCHEMBL31708737 0.84 TLR2 (0.44) CTSBCTSSTLR2CTSLNPC1
Hydrochloric Acid SCHEMBL19641072 0.84 TLR2 (0.46) CTSBCTSSTLR2CTSLNPC1
SCHEMBL606307 0.82 CTSB (0.49) CTSBCTSSTLR2CTSLHTR2C

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 6 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
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 3303/4885TLR2 828/4885

“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.