SCHEMBL321978

SCHEMBL321978

CS(=O)(=O)N1CCN(C(=O)Cl)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 5/20 0.46
HTT P42858 2/20 0.46
TSHR P16473 2/20 0.46
ATM Q13315 1/20 0.46
MAPK1 P28482 3/20 0.45
GAA P10253 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL2417185 0.92 MEN1 (0.50) MEN1KMT2ALMNATDP1ALDH1A1
SCHEMBL27863364 0.81 ALDH1A1 (0.54) MEN1KMT2ALMNATDP1ALDH1A1
SCHEMBL6063749 0.79 LMNA (0.49) MEN1KMT2ALMNATDP1ALDH1A1
SCHEMBL2105014 0.79 TDP1 (0.52) MEN1KMT2ALMNATDP1ALDH1A1
SCHEMBL772255 0.79 LMNA (0.49) MEN1KMT2ALMNATDP1ALDH1A1
SCHEMBL3872020 0.79 ALDH1A1 (0.51) MEN1KMT2ALMNATDP1ALDH1A1
SCHEMBL15808606 0.78 LMNA (0.45) MEN1KMT2ALMNATDP1ALDH1A1
SCHEMBL3232988 0.77 LMNA (0.47) MEN1KMT2ALMNATDP1ALDH1A1
SCHEMBL20840303 0.77 LMNA (0.50) MEN1KMT2ALMNATDP1ALDH1A1
SCHEMBL4778694 0.77 LMNA (0.50) MEN1KMT2ALMNATDP1ALDH1A1

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398768-B1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2016-08-24 EP disclosed
CN-102307853-B As the pyrrolidin derivatives of NK3 receptor antagonist F. HOFFMANN-LA ROCHE AG (CH) 2015-09-02 CN disclosed
EP-2590963-B1 (3-METHYLPYRROLIDIN-3-YL)METHYL PYRIDINYL ETHER DERIVATIVES AND THEIR USE AS NK-3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2014-12-03 EP disclosed
CN-102203060-B 3-(benzylamino)-pyrrolidine derivatives and their use as nk-3 receptor antagonists HOFFMANN LA ROCHE 2014-09-24 CN disclosed
CN-102282139-B Piperidine derivatives as NK3 receptor antagonists HOFFMANN LA ROCHE 2014-06-18 CN disclosed
US-8507535-B2 Methyl-pyrrolidine ether derivatives HOFFMANN-LA ROCHE INC. (US) 2013-08-13 US disclosed
EP-2590963-A1 (3 -METHYLPYRROLIDIN- 3 - YL) METHYL PYRIDINYL ETHER DERIVATIVES AND THEIR USE AS NK-3 RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-15 EP disclosed
US-8404679-B2 Pyrrolidine derivatives as NK2 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
EP-2364295-B1 3-(BENZYLAMINO)-PYRROLIDINE DERIVATIVES AND THEIR USE AS NK-3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-02-27 EP disclosed
EP-2391615-B1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-01-16 EP disclosed
EP-2190815-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-06-02 EP disclosed
US-20100113424-A1 N-BENZYL PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-05-06 US disclosed
CN-101657418-A Pyrrolidine derivatives as NK1/NK3 receptor dual antagonists HOFFMANN LA ROCHE CH 2010-02-24 CN disclosed
EP-2148857-A1 PYRROLIDINE DERIVATIVES AS DUAL NK1/NK3 RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-02-03 EP disclosed
WO-2009153179-A1 PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
US-20090312327-A1 PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 US 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
US-20080275021-A1 PYRROLIDINE DERIVATIVES AS DUAL NK1/NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-11-06 US disclosed
WO-2008128891-A1 PYRROLIDINE DERIVATIVES AS DUAL NK1/NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 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 (4 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-20080275021-A1 PYRROLIDINE DERIVATIVES AS DUAL NK1/NK3 RECEPTOR ANTAGONISTS TAC3, TACR2, TACR1 MEN1 3289/4885KMT2A 1061/4885LMNA 4736/4885
US-20100113424-A1 N-BENZYL PYRROLIDINE DERIVATIVES OPRK1, OPRD1, OPRL1 MEN1 4816/4885KMT2A 1940/4885LMNA 4520/4885
US-20090312327-A1 PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS TACR2, PRLHR, AVPR2 MEN1 3652/4885KMT2A 801/4885LMNA 3612/4885
US-20090054644-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS OPRL1, OPRD1, OPRK1 MEN1 4878/4885KMT2A 1680/4885LMNA 4622/4885

“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.