SCHEMBL23407993

SCHEMBL23407993

CC(=O)OCCCCN1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MAOB P27338 6/20 0.48
HRH3 Q9Y5N1 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP1A2 P05177 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 1/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44

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
SCHEMBL29184062 0.98 HRH3 (0.50) ALDH1A1KDM4EMAOBHRH3CYP2D6
SCHEMBL21861967 0.94 CYP2D6 (0.51) ALDH1A1KDM4EMAOBHRH3CYP2D6
SCHEMBL65995 0.86 SLC18A3 (0.53) ALDH1A1KDM4EHRH3CYP2D6CYP1A2
SCHEMBL64545 0.84 KMT2A (0.51) ALDH1A1KDM4EMAPK1L3MBTL1MEN1
SCHEMBL17696813 0.84 KDM4E (0.49) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL7423278 0.82 KMT2A (0.50) ALDH1A1KDM4EMAPK1L3MBTL1MEN1
SCHEMBL14500225 0.80 SLC18A3 (0.51) ALDH1A1HRH3CYP2D6MAPK1SMN1; SMN2
SCHEMBL2686485 0.79 HRH3 (0.50) ALDH1A1KDM4EMAOBHRH3CYP2D6
SCHEMBL8568373 0.79 HRH3 (0.52) ALDH1A1KDM4EHRH3SMN1; SMN2MEN1
SCHEMBL4807116 0.79 HRH3 (0.50) ALDH1A1KDM4EHRH3CYP2D6CYP1A2

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
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 US disclosed
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 US disclosed
US-11590116-B2 Substituted pyridines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-02-28 US disclosed
WO-2021102468-A1 SUBSTITUTED 1,5-NAPHTHYRIDINES OR QUINOLINES AS ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 WO disclosed
US-20210154179-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE 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 (3 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-20210154179-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A ALDH1A1 2453/4885KDM4E 946/4885MAOB 1573/4885
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A ALDH1A1 2453/4885KDM4E 946/4885MAOB 1573/4885
US-11590116-B2 Substituted pyridines and methods of use ALK, ACVR1, ACVR2A ALDH1A1 2453/4885KDM4E 946/4885MAOB 1573/4885

“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.