SCHEMBL5871864

SCHEMBL5871864

CCOS(=O)(=O)O.ON1CCNCC1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
GABRA1 P14867 1/20 0.32
TSHR P16473 1/20 0.32
GABRG2 P18507 1/20 0.32
NFKB1 P19838 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRA6 Q16445 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.30

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
Piperazine SCHEMBL25363735 0.84 CA1 (0.39) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL30722804 0.82 LMNA (0.31) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL27349106 0.82 LMNA (0.38) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL11027150 0.80 MEN1 (0.36) SIGMAR1KDM4EKMT2A
SCHEMBL11027147 0.80 SMN1; SMN2 (0.33) SIGMAR1
Pyrrolidine SCHEMBL28002045 0.79 CA1 (0.34) LMNACYP3A4GABRA1TSHRGABRG2
Piperidine SCHEMBL27604638 0.79 ALDH1A1 (0.38) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL29117322 0.78 SMN1; SMN2 (0.33) SIGMAR1
SCHEMBL11204885 0.78 TSHR (0.42) LMNACYP3A4TSHRKMT2A
Morpholine SCHEMBL5973028 0.76 MEN1 (0.41) TSHRCA1CA2KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101676-B2 Methods for identifying compounds which inhibit binding of nucleocapsid 7 protein to HIV-1 RNA ACHILION PHARMACEUTICALS 2006-09-05 US disclosed
US-20030198648-A1 Methods for identifying compounds which inhibit binding of nucleocapsid 7 protein to HIV-1 RNA ACHILION PHARMACEUTICALS 2003-10-23 US disclosed
WO-2003060098-A2 METHODS FOR IDENTIFYING COMPOUNDS WHICH INHIBIT BINDING OF NUCLEOCAPSID 7 PROTEIN TO HIV-1 RNA ACHILLION PHARMACEUTICALS, INC. (US) 2003-07-24 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-20030198648-A1 Methods for identifying compounds which inhibit binding of nucleocapsid 7 protein to HIV-1 RNA MRPS27, SNRPE, NSUN2 LMNA 2733/4885CYP3A4 4653/4885GABRA1 4157/4885

“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.