SCHEMBL4428980

SCHEMBL4428980

CN(CCc1ccc(CCC#N)cc1)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.54
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
PRMT8 Q9NR22 1/20 0.50
TAAR1 Q96RJ0 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ROCK1 Q13464 1/20 0.45
LMNA P02545 2/20 0.45
CYP3A4 P08684 2/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
PYCR1 P32322 1/20 0.45
ALDH1A1 P00352 2/20 0.44
AOC3 Q16853 1/20 0.44
BLM P54132 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EBP Q15125 2/20 0.43

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
SCHEMBL153688 0.84 CARM1 (0.58) SIGMAR1CARM1PRMT6PRMT8LMNA
SCHEMBL8402960 0.84 SIGMAR1 (0.71) SIGMAR1CARM1PRMT6PRMT8TAAR1
SCHEMBL13359819 0.83 SIGMAR1 (0.58) SIGMAR1TAAR1MEN1KMT2AAOC3
SCHEMBL149999 0.81 SIGMAR1 (0.59) SIGMAR1CARM1PRMT6PRMT8LMNA
SCHEMBL21231364 0.81 ALDH1A1 (0.65) SIGMAR1CARM1PRMT6PRMT8TAAR1
SCHEMBL6538284 0.81 SIGMAR1 (0.67) SIGMAR1CARM1PRMT6PRMT8TAAR1
SCHEMBL13222367 0.80 KDM4E (0.62) SIGMAR1CARM1PRMT6PRMT8TAAR1
SCHEMBL181108 0.78 MEN1 (0.70) TAAR1MEN1KMT2AMAOAMAOB
SCHEMBL13618845 0.78 MEN1 (0.70) TAAR1MEN1KMT2AMAOAMAOB
Benzene SCHEMBL28469748 0.78 MEN1 (0.70) TAAR1MEN1KMT2AMAOAMAOB

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-7557126-B2 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2009-07-07 US disclosed
US-20070254943-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2007-11-01 US disclosed
US-7250414-B2 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2007-07-31 US disclosed
US-20050203167-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2005-09-15 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-20050203167-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists CHRM1, CHRM2, CHRM3 SIGMAR1 438/4885CARM1 154/4885PRMT6 368/4885
US-20070254943-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists CHRM1, CHRM2, CHRM3 SIGMAR1 438/4885CARM1 154/4885PRMT6 368/4885

“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.