SCHEMBL1978278

SCHEMBL1978278

NC(=O)c1ccc(N2CCC(C(=O)O)CC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.56
KDM1A O60341 1/20 0.55
LMNA P02545 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ABL1 P00519 1/20 0.53
HTT P42858 1/20 0.52
JAK2 O60674 1/20 0.51
JAK1 P23458 1/20 0.51
JAK3 P52333 1/20 0.51
USP30 Q70CQ3 2/20 0.49
SMO Q99835 1/20 0.49
UBE2T Q9NPD8 1/20 0.49
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL14605216 0.88 LMNA (0.55) HRH3LMNAKDM4EABL1HTT
SCHEMBL327068 0.86 HRH3 (0.55) HRH3LMNAKDM4EABL1HTT
SCHEMBL6140027 0.85 HRH3 (0.58) HRH3KDM1ALMNAKDM4EABL1
SCHEMBL14843687 0.85 HRH3 (0.58) HRH3KDM1ALMNAKDM4EABL1
SCHEMBL30754007 0.85 HRH3 (0.58) HRH3KDM1ALMNAKDM4EABL1
Hydrochloric Acid SCHEMBL5009902 0.84 HRH3 (0.57) HRH3KDM1ALMNAKDM4EABL1
Hydrochloric Acid SCHEMBL5221468 0.84 HRH3 (0.57) HRH3KDM1ALMNAKDM4EABL1
SCHEMBL31747419 0.83 HRH3 (0.55) HRH3KDM1ALMNAKDM4EABL1
SCHEMBL3544514 0.82 LMNA (0.55) LMNAKDM4EABL1HTTUSP30
SCHEMBL5223723 0.82 HRH3 (0.65) HRH3KDM1AJAK2JAK1JAK3

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 13 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
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-2513084-A1 PYRROLIDINE DERIVATIVES AS NK - 3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
EP-2513052-A1 PYRROLIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-24 EP 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
WO-2011073160-A1 PYRROLIDINE DERIVATIVES AS NK - 3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed
US-20110152233-A1 PYRROLIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 US 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 HRH3 201/4885KDM1A 1921/4885LMNA 4722/4885
US-20130203728-A1 PYRROLIDINE COMPOUNDS SLC6A3, OPRL1, OPRK1 HRH3 235/4885KDM1A 2499/4885LMNA 4701/4885
US-20110152233-A1 PYRROLIDINE COMPOUNDS SLC6A3, OPRL1, OPRK1 HRH3 235/4885KDM1A 2499/4885LMNA 4701/4885
US-20130184249-A1 PYRROLIDINE DERIVATIVES TACR1, OPRL1, SLC6A3 HRH3 201/4885KDM1A 1921/4885LMNA 4722/4885

“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.