SCHEMBL3386807

SCHEMBL3386807

CC(=O)NCCC(CO)c1cccc(SCC2CCCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.42
MTNR1B P49286 5/20 0.42
CTSK P43235 6/20 0.36
CTSL P07711 1/20 0.36
OPRK1 P41145 2/20 0.35
OPRD1 P41143 1/20 0.35
CRBN Q96SW2 1/20 0.35
TACR2 P21452 1/20 0.35
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34

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
SCHEMBL13400277 0.86 EPHX1 (0.38) CTSKOPRK1OPRD1
SCHEMBL3387323 0.81 AR (0.33) CTSK
SCHEMBL3390167 0.79 CTSK (0.37) MTNR1AMTNR1BCTSKCTSLOPRK1
SCHEMBL1710752 0.78 BCHE (0.38) CTSK
SCHEMBL13400239 0.74 HDAC6 (0.38) MTNR1AMTNR1BCTSKCTSLOPRK1
SCHEMBL13400259 0.74 HDAC6 (0.38) MTNR1AMTNR1BCTSKCTSLOPRK1
SCHEMBL1725728 0.74 EPHX1 (0.39) CTSKOPRK1OPRD1
SCHEMBL3386798 0.74 EPHX1 (0.39) CTSKOPRK1OPRD1ACACB
SCHEMBL1710635 0.73 HTR2A (0.37) CTSKOPRK1OPRD1
SCHEMBL1710637 0.73 OPRK1 (0.36) CTSKCTSLOPRK1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 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-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, MPST, CLN6 MTNR1A 109/4885MTNR1B 82/4885CTSK 2722/4885

“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.