SCHEMBL1975412

SCHEMBL1975412

CC(C)N1CC(C(=O)O)CCC1=O

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.71
KMT2A Q03164 1/20 0.49
POLB P06746 6/20 0.46
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX15 P16050 1/20 0.39
ACE P12821 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL30282392 0.83 MAPT (1.00) MAPTKMT2APOLBLMNAGAA
SCHEMBL25227301 0.83 MAPT (1.00) MAPTKMT2APOLBLMNAGAA
SCHEMBL2164818 0.83 MAPT (1.00) MAPTKMT2APOLBLMNAGAA
SCHEMBL25209200 0.83 MAPT (1.00) MAPTKMT2APOLBLMNAGAA
SCHEMBL31624892 0.76 MAPT (0.47) MAPTKMT2APOLBLMNASMN1; SMN2
SCHEMBL24391158 0.76 MAPT (0.47) MAPTKMT2APOLBLMNASMN1; SMN2
SCHEMBL24391219 0.76 MAPT (0.47) MAPTKMT2APOLBLMNASMN1; SMN2
SCHEMBL1969420 0.76 SRD5A1 (0.47) MAPTPOLBGAA
SCHEMBL6535458 0.74 MAPT (0.82) MAPTKMT2APOLBLMNAGAA
SCHEMBL9255198 0.73 MAPT (0.44) MAPTPOLBLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346786-B2 Pyrrolidine compounds HOFFMANN-LA ROCHE INC. (US) 2016-05-24 US disclosed
US-9226916-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2016-01-05 US disclosed
EP-2513084-B1 PYRROLIDINE DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2015-07-22 EP disclosed
CN-102656157-B Pyrrolidine derivatives as NK-3 receptor antagonists HOFFMANN LA ROCHE 2015-04-29 CN disclosed
EP-2513052-B1 PYRROLIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-06-04 EP disclosed
US-20130203728-A1 PYRROLIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-08-08 US disclosed
US-20130184249-A1 PYRROLIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-07-18 US disclosed
EP-2513052-A1 PYRROLIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
EP-2513084-A1 PYRROLIDINE DERIVATIVES AS NK - 3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
CN-102686564-A Pyrrolidine derivatives HOFFMANN LA ROCHE 2012-09-19 CN disclosed
CN-102656157-A Pyrrolidine derivatives as NK-3 receptor antagonists HOFFMANN LA ROCHE 2012-09-05 CN disclosed
WO-2011085886-A1 PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO disclosed
US-20110152233-A1 PYRROLIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 US disclosed
WO-2011073160-A1 PYRROLIDINE DERIVATIVES AS NK - 3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed
US-20110144081-A1 PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 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 (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-20110144081-A1 PYRROLIDINE DERIVATIVES TACR1, OPRL1, SLC6A3 MAPT 1468/4885KMT2A 888/4885POLB 2100/4885
US-20130203728-A1 PYRROLIDINE COMPOUNDS SLC6A3, OPRL1, OPRK1 MAPT 918/4885KMT2A 1681/4885POLB 1575/4885
US-20110152233-A1 PYRROLIDINE COMPOUNDS SLC6A3, OPRL1, OPRK1 MAPT 918/4885KMT2A 1681/4885POLB 1575/4885
US-20130184249-A1 PYRROLIDINE DERIVATIVES TACR1, OPRL1, SLC6A3 MAPT 1468/4885KMT2A 888/4885POLB 2100/4885

“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.