SCHEMBL16030359

SCHEMBL16030359

O=[N+]([O-])[C@H]1CN(Cc2ccccc2)C[C@@H]1C1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.39
BCHE P06276 3/20 0.37
ACHE P22303 3/20 0.37
BACE1 P56817 3/20 0.37
FUCA1 P04066 2/20 0.36
MAPT P10636 2/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL16030361 1.00 ALDH1A1 (0.42) ALDH1A1MAPK1BCHEACHEBACE1
SCHEMBL16030360 1.00 ALDH1A1 (0.42) ALDH1A1MAPK1BCHEACHEBACE1
SCHEMBL19271008 0.82 BCHE (0.40) ALDH1A1MAPK1BCHEACHEBACE1
SCHEMBL16033408 0.80 FUCA1 (0.43) ALDH1A1MAPK1BCHEACHEBACE1
SCHEMBL16033409 0.80 FUCA1 (0.43) ALDH1A1MAPK1BCHEACHEBACE1
SCHEMBL16033411 0.80 FUCA1 (0.43) ALDH1A1MAPK1BCHEACHEBACE1
SCHEMBL16031658 0.79 ALDH1A1 (0.43) ALDH1A1ACHEFUCA1CYP1A2CYP3A4
SCHEMBL16031660 0.79 ALDH1A1 (0.43) ALDH1A1ACHEFUCA1CYP1A2CYP3A4
SCHEMBL16031665 0.79 ALDH1A1 (0.43) ALDH1A1ACHEFUCA1CYP1A2CYP3A4
SCHEMBL16033097 0.76 ALDH1A1 (0.41) ALDH1A1BCHEACHEKDM4EDRD4

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 5 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
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
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

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 1275/4885MAPK1 2467/4885BCHE 2619/4885
US-20140275087-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC6A7, GFPT1, SUGT1 ALDH1A1 1275/4885MAPK1 2467/4885BCHE 2619/4885

“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.