SCHEMBL322942

SCHEMBL322942

CCOC(=O)C1CCN(c2ccc(OC)nn2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 6/20 0.50
MAPT P10636 5/20 0.50
HPGD P15428 3/20 0.50
HRH3 Q9Y5N1 2/20 0.50
KDM4E B2RXH2 3/20 0.49
GAA P10253 3/20 0.49
TSHR P16473 2/20 0.49
CASP1 P29466 2/20 0.49
HSD17B10 Q99714 2/20 0.49
SHMT2 P34897 1/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 2/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LGMN Q99538 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
HTT P42858 1/20 0.47

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
SCHEMBL9413151 0.88 MEN1 (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL16648747 0.88 KMT2A (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6871006 0.85 KMT2A (0.74) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL16880258 0.85 LGMN (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL22368269 0.82 MEN1 (0.54) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL16648472 0.82 MAPT (0.54) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL16769737 0.82 MEN1 (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL321187 0.82 LMNA (0.65) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4389854 0.80 MAPT (0.57) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL1442632 0.80 HRH3 (0.57) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2862861-B1 PIPERIDINYLPYRAZOLOPYRIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2016-01-06 EP 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
US-9226916-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2016-01-05 US disclosed
US-9150575-B2 Piperidinylpyrazolopyridine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-06 US disclosed
US-9150575-B2 Piperidinylpyrazolopyridine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-06 US disclosed
US-20150152102-A1 PIPERIDINYLPYRAZOLOPYRIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-06-04 US disclosed
US-20150152102-A1 PIPERIDINYLPYRAZOLOPYRIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-06-04 US disclosed
EP-2862861-A1 PIPERIDINYLPYRAZOLOPYRIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-04-22 EP 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
US-20130184249-A1 PYRROLIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-07-18 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
EP-2513052-A1 PYRROLIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
WO-2012004207-A1 (3 -METHYLPYRROLIDIN- 3 - YL) METHYL PYRIDINYL ETHER DERIVATIVES AND THEIR USE AS NK-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 WO disclosed
US-20120010212-A1 METHYL-PYRROLIDINE ETHER DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-01-12 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

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 MEN1 4760/4885KMT2A 888/4885SMN1; SMN2 1784/4885
US-20120010212-A1 METHYL-PYRROLIDINE ETHER DERIVATIVES OPRM1, OPRK1, OPRD1 MEN1 4677/4885KMT2A 422/4885SMN1; SMN2 796/4885
US-20150152102-A1 PIPERIDINYLPYRAZOLOPYRIDINE DERIVATIVE LCAT, LPL, LCLAT1 MEN1 4861/4885KMT2A 1626/4885SMN1; SMN2 1535/4885
US-20130184249-A1 PYRROLIDINE DERIVATIVES TACR1, OPRL1, SLC6A3 MEN1 4760/4885KMT2A 888/4885SMN1; SMN2 1784/4885

“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.