SCHEMBL4180174

SCHEMBL4180174

C#CCOCCCCOCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
NAAA Q02083 4/20 0.44
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
GBA1 P04062 2/20 0.39
UGCG Q16739 2/20 0.39
GBA2 Q9HCG7 2/20 0.39
EPHX2 P34913 1/20 0.39
LTA4H P09960 1/20 0.38

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
SCHEMBL3821073 0.92 TSHR (0.54) TSHRL3MBTL1TDP1NAAAHRH4
SCHEMBL20423790 0.91 NAAA (0.53) TSHRL3MBTL1TDP1NAAAHRH4
SCHEMBL470893 0.86 TSHR (0.61) TSHRNAAALMNA
SCHEMBL3376445 0.85 TSHR (0.50) TSHRL3MBTL1TDP1NAAAHRH4
SCHEMBL9574242 0.85 TDP1 (0.47) TSHRL3MBTL1TDP1NAAAHRH3
SCHEMBL19460555 0.84 TSHR (0.58) TSHRNAAALMNA
SCHEMBL2640223 0.84 TSHR (0.70) TSHRL3MBTL1TDP1NAAAHRH4
SCHEMBL23014897 0.84 L3MBTL1 (0.50) TSHRL3MBTL1TDP1NAAAHRH4
SCHEMBL1422059 0.84 L3MBTL1 (0.50) TSHRL3MBTL1TDP1NAAAHRH4
SCHEMBL1421766 0.84 L3MBTL1 (0.50) TSHRL3MBTL1TDP1NAAAHRH4

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-8080565-B2 Substituted 4-amino-benzylpiperidine compounds THERAVANCE, INC. (US) 2011-12-20 US disclosed
US-20090023777-A1 Substituted 4-amino-benzylpiperidine compounds THERAVANCE BIOPHARMA R&D IP, LLC 2009-01-22 US disclosed
US-7368463-B2 Substituted 4-amino-1-benzylpiperidine compounds THERAVANCE, INC. (US) 2008-05-06 US disclosed
US-20050026954-A1 Muscarinic receptor antagonists; overactive bladder, irritable bowel syndrome, chronic obstructive pulmonary disease, and asthma THERAVANCE BIOPHARMA R&D IP, LLC 2005-02-03 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-20050026954-A1 Muscarinic receptor antagonists; overactive bladder, irritable bowel syndrome, chronic obstructive pulmonary disease, and asthma CHRM5, CHRM3, CHRM1 TSHR 912/4885L3MBTL1 4609/4885TDP1 3799/4885
US-20090023777-A1 Substituted 4-amino-benzylpiperidine compounds CHRM5, CHRM3, GPR4 TSHR 1509/4885L3MBTL1 4373/4885TDP1 3256/4885

“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.