SCHEMBL16032837

SCHEMBL16032837

CC1([N+](=O)[O-])CN(Cc2ccccc2)CC1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
MAPT P10636 5/20 0.48
KDM4E B2RXH2 2/20 0.48
HTT P42858 2/20 0.48
NR1I2 O75469 1/20 0.45
RORC P51449 1/20 0.45
GAA P10253 2/20 0.44
KMT2A Q03164 5/20 0.43
CYP2C19 P33261 3/20 0.43
MEN1 O00255 3/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPSR1 Q6W5P4 3/20 0.41
LMNA P02545 1/20 0.41
BCHE P06276 3/20 0.40
ACHE P22303 3/20 0.40
BACE1 P56817 3/20 0.40
TRPV6 Q9H1D0 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40

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
SCHEMBL16032835 1.00 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EHTTNR1I2
SCHEMBL16031461 0.77 MAOA (0.51) NR1I2RORCGAAKMT2AMEN1
SCHEMBL16031464 0.77 MAOA (0.51) NR1I2RORCGAAKMT2AMEN1
SCHEMBL7817652 0.76 GAA (0.47) ALDH1A1MAPTNR1I2RORCGAA
SCHEMBL867234 0.75 GAA (0.60) ALDH1A1MAPTKDM4EHTTGAA
SCHEMBL30730070 0.73 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EGAAKMT2A
SCHEMBL491199 0.73 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EHTTGAA
SCHEMBL16032053 0.73 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EHTTNR1I2
SCHEMBL10071225 0.72 KDM1A (0.50) ALDH1A1KMT2ACYP2C19MEN1LMNA
SCHEMBL16032402 0.71 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EHTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970215-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2019-04-17 EP disclosed
US-9656955-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-23 US disclosed
US-9650334-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-16 US disclosed
EP-2970215-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-20 EP disclosed
WO-2014140310-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 WO disclosed
US-20140275086-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 US disclosed
US-20140275087-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 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 (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-20140275086-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC6A7, GFPT1, SUGT1 ALDH1A1 1275/4885MAPT 613/4885KDM4E 2657/4885
US-20140275087-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC6A7, GFPT1, SUGT1 ALDH1A1 1275/4885MAPT 613/4885KDM4E 2657/4885

“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.