SCHEMBL4806718

SCHEMBL4806718

COC1OCC[C@@H]1NC(=O)C(CCCN)CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 11/20 0.35
CPB2 Q96IY4 1/20 0.33
KISS1R Q969F8 1/20 0.33
CAPNS1 P04632 1/20 0.33

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
SCHEMBL3635784 0.80 CAPN1 (0.39) CAPN1CAPNS1
SCHEMBL5705285 0.76 CAPN1 (0.33) CAPN1CAPNS1
SCHEMBL4801806 0.74 CAPN1 (0.46) CAPN1CAPNS1
SCHEMBL4623099 0.74 CAPN1 (0.45) CAPN1CAPNS1
SCHEMBL4807068 0.73 ARG1 (0.34) CAPN1
SCHEMBL5705300 0.72 NPSR1 (0.31)
SCHEMBL4622798 0.72 CAPN1 (0.42) CAPN1CAPNS1
SCHEMBL3635782 0.70 CAPN1 (0.36) CAPN1
SCHEMBL4623257 0.68 EPHX1 (0.31) CAPN1
SCHEMBL4620561 0.68 AAK1 (0.38) CPB2

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-7384933-B2 Derivatives of 2-hydroxytetrahydrofuran and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2008-06-10 US disclosed
US-20050222045-A1 Novel derivatives of 2-hydroxytetrahydrofuran and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2005-10-06 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-20050222045-A1 Novel derivatives of 2-hydroxytetrahydrofuran and their use as medicaments CAPN1, MYH10, CAPN9 CAPN1 1/4885CPB2 1222/4885KISS1R 4262/4885

“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.