SCHEMBL23416622

SCHEMBL23416622

CC(C)=C1NCCCN1C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
INMT O95050 2/20 0.31
BRD4 O60885 1/20 0.30
BRD2 P25440 1/20 0.30

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
SCHEMBL13568613 0.86
SCHEMBL21646720 0.74 MEN1 (0.32) MEN1RAB9AGFERKMT2AMAPT
SCHEMBL22285902 0.73 MAPT (0.31) MEN1KMT2AMAPTHTTINMT
Acetic Acid SCHEMBL30239529 0.70 NPSR1 (0.37) MEN1RAB9AGFERKMT2AMAPT
SCHEMBL791147 0.69
SCHEMBL15828424 0.68 KDM4E (0.31)
SCHEMBL7627883 0.67
SCHEMBL762780 0.67
SCHEMBL10797718 0.67
SCHEMBL18183406 0.65

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-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 US disclosed
US-20210154178-A1 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 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-20210154178-A1 ALK5 INHIBITORS ALK, ACVR1, ACVRL1 MEN1 2449/4885RAB9A 3505/4885GFER 3540/4885
US-11730720-B2 ALK5 inhibitors ALK, ACVR1, ACVRL1 MEN1 2449/4885RAB9A 3505/4885GFER 3540/4885

“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.