SCHEMBL16031834

SCHEMBL16031834

[CH]1CCC(c2ccccn2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 5/20 0.39
LMNA P02545 3/20 0.39
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 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
SCHEMBL4073282 0.90 DRD4 (0.41) ALDH1A1MAPTNPC1RAB9AOPRM1
SCHEMBL13674926 0.85 OPRM1 (0.38) ALDH1A1MAPTNPC1RAB9AOPRM1
SCHEMBL2171298 0.85 OPRM1 (0.38) ALDH1A1MAPTNPC1RAB9AOPRM1
SCHEMBL659325 0.81 KDM4E (0.48) ALDH1A1MAPTNPC1RAB9AOPRM1
SCHEMBL900225 0.81
SCHEMBL29448519 0.81
SCHEMBL27634439 0.78 ALDH1A1 (0.39) ALDH1A1MAPTNPC1RAB9AOPRM1
SCHEMBL1481510 0.77 ALDH1A1 (0.50) ALDH1A1MAPTNPC1RAB9AOPRM1
SCHEMBL1515110 0.77 ALDH1A1 (0.46) ALDH1A1MAPTNPC1RAB9AOPRM1
SCHEMBL13889929 0.77 KDM4E (0.44) ALDH1A1MAPTNPC1RAB9AOPRM1

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 6 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-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
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 (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 ALDH1A1 1275/4885MAPT 613/4885NPC1 503/4885

“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.