SCHEMBL8570353

SCHEMBL8570353

NC12CCCCC1CN(Cc1ccccc1)C2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
FUCA1 P04066 2/20 0.40
ACHE P22303 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ARG1 P05089 1/20 0.39
ARG2 P78540 1/20 0.39

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
SCHEMBL20895733 1.00 CYP1A2 (0.42) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL16054301 1.00 CYP1A2 (0.42) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL1190231 0.83 SIGMAR1 (0.46) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL4671277 0.81 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL7386938 0.79 SLC6A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL7386941 0.79 SLC6A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL19779412 0.78 ALDH1A1 (0.43) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL21480155 0.78 ALDH1A1 (0.43) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL21480154 0.78 ALDH1A1 (0.43) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL2267300 0.78 ACHE (0.50) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1

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 16 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
EP-2970215-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2019-04-17 EP disclosed
US-9650334-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-16 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-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
CN-105209457-A Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE DEUTSCHLAND 2015-12-30 CN 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
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-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-20140275086-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 US disclosed
EP-0871628-A1 QUINOLIZINONE TYPE COMPOUNDS Abbott Laboratories (US) 1998-10-21 EP disclosed
US-5726182-A TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1998-03-10 US disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 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 (1 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 CYP1A2 735/4885CYP3A4 572/4885CYP2D6 459/4885

“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.