SCHEMBL321187

SCHEMBL321187

COc1ccc(N2CCC(C(=O)O)CC2)nn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
HTT P42858 1/20 0.65
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HRH3 Q9Y5N1 2/20 0.55
GAA P10253 1/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 2/20 0.46
TACR3 P29371 2/20 0.46
USP2 O75604 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP2C19 P33261 1/20 0.45
GLS O94925 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
NEK2 P51955 2/20 0.43

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
SCHEMBL16769737 0.88 MEN1 (0.56) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL1439618 0.83 LMNA (0.70) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL322942 0.82 MEN1 (0.56) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL2005961 0.82 MEN1 (0.52) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL1977246 0.79 LMNA (1.00) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL20249466 0.78 LMNA (0.63) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL30790709 0.78 HRH3 (0.50) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL9219556 0.78 HRH3 (0.50) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL1442407 0.77 HRH3 (0.58) LMNAHTTKMT2AHRH3GAA
SCHEMBL1441410 0.77 CHRNB2 (0.54) GAAKDM4EHPGDUSP2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9226916-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2016-01-05 US disclosed
US-9226916-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2016-01-05 US disclosed
US-9226916-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2016-01-05 US 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
EP-2661432-B1 PYRROLIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2014-11-19 EP disclosed
EP-2513052-B1 PYRROLIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-06-04 EP disclosed
EP-2513052-B1 PYRROLIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-06-04 EP disclosed
US-8618303-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2013-12-31 US disclosed
EP-2661432-A1 PYRROLIDINE DERIVATIVES AS NK3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2013-11-13 EP disclosed
US-8507535-B2 Methyl-pyrrolidine ether derivatives HOFFMANN-LA ROCHE INC. (US) 2013-08-13 US disclosed
WO-2011085886-A1 PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO disclosed
WO-2011085886-A1 PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO disclosed
US-20110144081-A1 PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 US disclosed
US-20110144081-A1 PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 US disclosed
US-20110144081-A1 PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 US disclosed
US-20110053948-A1 PYRROLIDINES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2011-03-03 US disclosed
US-20110053948-A1 PYRROLIDINES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2011-03-03 US disclosed
US-20110053948-A1 PYRROLIDINES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2011-03-03 US disclosed
WO-2011023626-A1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 WO disclosed
WO-2011023626-A1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 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 (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-20110144081-A1 PYRROLIDINE DERIVATIVES TACR1, OPRL1, SLC6A3 LMNA 4722/4885HTT 590/4885MEN1 4760/4885
US-20110053948-A1 PYRROLIDINES AS NK3 RECEPTOR ANTAGONISTS OPRM1, OPRK1, OPRL1 LMNA 4559/4885HTT 550/4885MEN1 4513/4885

“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.