SCHEMBL2056468

SCHEMBL2056468

O=C(OCl)C1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.52
TSHR P16473 2/20 0.52
GABRG2 P18507 2/20 0.52
GABRB3 P28472 2/20 0.52
GABRA5 P31644 2/20 0.52
GABRA3 P34903 2/20 0.52
GABRA2 P47869 2/20 0.52
GABRA6 Q16445 2/20 0.52
GABRP O00591 1/20 0.52
GABRD O14764 1/20 0.52
GABRB1 P18505 1/20 0.52
GABRB2 P47870 1/20 0.52
GABRA4 P48169 1/20 0.52
GABRE P78334 1/20 0.52
PMP22 Q01453 1/20 0.52
GABRG1 Q8N1C3 1/20 0.52
GABRG3 Q99928 1/20 0.52
GABRQ Q9UN88 1/20 0.52
NOS2 P35228 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL15367664 0.86
SCHEMBL3645869 0.82
SCHEMBL3997244 0.80 GABRA1 (0.56) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL9427736 0.78 GABRA1 (0.54) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL1026427 0.77
SCHEMBL5317263 0.77
SCHEMBL523784 0.76 GABRA1 (0.52) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL15027501 0.76 TSHR (0.52) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL5163 0.76 GABRP (0.52) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL11122728 0.76 GABRA1 (0.52) GABRA1TSHRGABRG2GABRB3GABRA5

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-8163926-B2 Process for the synthesis of piperidinyl sulphonate esters ASTRAZENECA AB (SE) 2012-04-24 US disclosed
US-20120095229-A1 CHEMICAL PROCESS GENZYME CORPORATION 2012-04-19 US disclosed
US-20090203905-A1 CHEMICAL PROCESS GENZYME CORPORATION 2009-08-13 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 (2 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-20090203905-A1 CHEMICAL PROCESS CYP3A4, CYP3A5, CYP3A7 GABRA1 1672/4885TSHR 3902/4885GABRG2 2583/4885
US-20120095229-A1 CHEMICAL PROCESS CYP3A4, CYP3A5, CYP3A7 GABRA1 1672/4885TSHR 3902/4885GABRG2 2583/4885

“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.