SCHEMBL2232096

SCHEMBL2232096

CN(C1CCN(C(=O)Cl)CC1)S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.38
HTR2A P28223 6/20 0.36
HTR2C P28335 6/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
MMP13 P45452 1/20 0.34
LSS P48449 1/20 0.33
CACNA1B Q00975 1/20 0.33
SYK P43405 1/20 0.33
NPY5R Q15761 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 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
SCHEMBL11324303 0.84 PER2 (0.41) L3MBTL3L3MBTL1NPY5RALDH1A1
SCHEMBL3068209 0.79 L3MBTL3 (0.56) L3MBTL3L3MBTL1ALDH1A1
SCHEMBL20040023 0.76 L3MBTL1 (0.42) L3MBTL3L3MBTL1NPY5RALDH1A1LMNA
SCHEMBL1182635 0.76 GPR119 (0.51)
SCHEMBL799397 0.75 HTR2A (0.54) HTR2AHTR2CL3MBTL1ALDH1A1
SCHEMBL26683504 0.74 L3MBTL3 (0.40) L3MBTL3HTR2AHTR2CL3MBTL1NPY5R
SCHEMBL14295197 0.73
SCHEMBL16368849 0.73 HTR2A (0.38) HTR2AHTR2CL3MBTL1ALDH1A1
SCHEMBL21422793 0.73 HTR2A (0.39) HTR2AHTR2CL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL4566681 0.71 CYP4F2 (0.35) HTR2AHTR2CL3MBTL1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190815-B1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-08-10 EP disclosed
CN-101861302-A Pyrrolidine aryl-ether as NK3 receptor antagonists HOFFMANN LA ROCHE 2010-10-13 CN disclosed
US-7812021-B2 Pyrrolidine aryl-ether as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2010-10-12 US disclosed
EP-2190815-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-06-02 EP disclosed
US-20090054644-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2009-02-26 US disclosed
WO-2009024502-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-26 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-20090054644-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS OPRL1, OPRD1, OPRK1 L3MBTL3 1968/4885HTR2A 146/4885HTR2C 44/4885

“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.