SCHEMBL21886619

SCHEMBL21886619

CCCCCCC(C)C(=O)NCCC#N

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
CNR1 P21554 1/20 0.45
GNAI3 P08754 1/20 0.43
GNAO1 P09471 1/20 0.43
GNAI1 P63096 1/20 0.43
MMP8 P22894 1/20 0.43
RRM1 P23921 1/20 0.42
DPP7 Q9UHL4 2/20 0.41
ACE2 Q9BYF1 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
TSHR P16473 1/20 0.39
EPHX1 P07099 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
SCHEMBL13810574 0.85 CA1 (0.53) CA1CNR1GNAI3GNAO1GNAI1
SCHEMBL28100557 0.83 GNAI3 (0.58) CA1CNR1GNAI3GNAO1GNAI1
SCHEMBL14874696 0.83 GNAI3 (0.58) CA1CNR1GNAI3GNAO1GNAI1
SCHEMBL28052076 0.83 GNAI3 (0.58) CA1CNR1GNAI3GNAO1GNAI1
SCHEMBL28052266 0.83 GNAI3 (0.58) CA1CNR1GNAI3GNAO1GNAI1
SCHEMBL18950344 0.83 EPHX1 (0.52) CA1CNR1GNAI3GNAO1GNAI1
SCHEMBL11181600 0.83 GNAI3 (0.54) CA1CNR1GNAI3GNAO1GNAI1
SCHEMBL28285001 0.83 GNAI3 (0.58) CA1CNR1GNAI3GNAO1GNAI1
SCHEMBL10033567 0.80 TSHR (0.42) MMP8TSHR
SCHEMBL28328772 0.80 DPP7 (0.62) CNR1GNAI3GNAO1GNAI1MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11072585-B2 Fluorinated lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2021-07-27 US disclosed
US-20200115341-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2020-04-16 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 (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-20200115341-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX CA1 4197/4885CNR1 3610/4885GNAI3 3792/4885
US-11072585-B2 Fluorinated lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX CA1 4197/4885CNR1 3610/4885GNAI3 3792/4885

“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.