SCHEMBL4939858

SCHEMBL4939858

CON=C1C[C@@H](C(=O)Nc2cccc3snnc23)N(C(=O)c2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 0.55
AVPR1A P37288 3/20 0.48
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
PABPC1 P11940 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
KCNQ1 P51787 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
CFTR P13569 5/20 0.32
POLB P06746 1/20 0.32
PKLR P30613 1/20 0.32

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
SCHEMBL7089080 0.85 OXTR (0.57) OXTRAVPR1AMEN1MAPTPABPC1
SCHEMBL4939037 0.85 OXTR (0.57) OXTRAVPR1AMEN1MAPTPABPC1
SCHEMBL4943160 0.84 OXTR (0.42) OXTRAVPR1A
SCHEMBL6109720 0.82 OXTR (0.64) OXTRAVPR1AMEN1MAPTPABPC1
SCHEMBL4944227 0.77 OXTR (0.60) OXTRAVPR1AMEN1MAPTKMT2A
SCHEMBL5041532 0.77 OXTR (0.68) OXTRAVPR1AMEN1KMT2AMMP1
SCHEMBL5482133 0.77 OXTR (0.68) OXTRAVPR1AMEN1KMT2AMMP1
SCHEMBL14492868 0.76 OXTR (0.70) OXTRAVPR1AMEN1KMT2ALMNA
SCHEMBL14217504 0.76 OXTR (0.70) OXTRAVPR1AMEN1KMT2ALMNA
SCHEMBL4944228 0.74 OXTR (0.73) OXTRAVPR1AMEN1KMT2ALMNA

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-20080167318-A1 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2008-07-10 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-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 OXTR 1/4885AVPR1A 261/4885MEN1 4860/4885

“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.