SCHEMBL23407905

SCHEMBL23407905

O=C(OC1CCNCC1)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.46
▸ CES1 P23141 1/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ NAPRT Q6XQN6 1/20 0.44
▸ P4HTM Q9NXG6 1/20 0.44
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNB4 P30926 1/20 0.44
▸ CHRNA3 P32297 1/20 0.44
▸ CHRNA7 P36544 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ GRM4 Q14833 1/20 0.43
▸ GRM5 P41594 1/20 0.42
▸ UTS2R Q9UKP6 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ SLC40A1 Q9NP59 1/20 0.42

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
SCHEMBL29771778 0.91 CHRNB2 (0.46) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL27747544 0.89 CES2 (0.53) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL27433093 0.84 PKM (0.52) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL29586361 0.81 KMT2A (0.48) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL28496187 0.81 TSHR (0.45) NAPRTCHRNB2CHRNA4UTS2RKDM4E
SCHEMBL27686242 0.80 CHRM2 (0.49) L3MBTL1CHRM3ALDH1A1KDM4EGAA
SCHEMBL23407891 0.78 TMEM97 (0.41) CHRM3ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL408199 0.78 CES2 (0.48) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL31480455 0.77 CRBN (0.39) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL28184168 0.77 KDM4E (0.42) CHRM3UTS2RKDM4ESLC40A1

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 4 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-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 CES2 2051/4885CES1 2638/4885L3MBTL1 2150/4885
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A CES2 2051/4885CES1 2638/4885L3MBTL1 2150/4885
US-11590116-B2 Substituted pyridines and methods of use ALK, ACVR1, ACVR2A CES2 2051/4885CES1 2638/4885L3MBTL1 2150/4885

“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.

Send feedback