SCHEMBL4156885

SCHEMBL4156885

Cc1cc(=O)n(CCC2CCCCC2)c(-c2cccc(F)c2OCc2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.44
SLC6A4 P31645 3/20 0.40
HTR2C P28335 3/20 0.40
HTR1A P08908 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
FFAR1 O14842 1/20 0.36
PPARD Q03181 1/20 0.36
HPGD P15428 1/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
RBP4 P02753 1/20 0.36
TTR P02766 1/20 0.36
HTR2A P28223 1/20 0.36
CTSS P25774 2/20 0.35
CNR1 P21554 2/20 0.35
USP19 O94966 1/20 0.35
CNR2 P34972 1/20 0.34

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
SCHEMBL4153036 0.85 CASR (0.61) CASR
SCHEMBL27730648 0.84 CASR (0.46) CASRSLC6A4HTR2CHPGDCNR1
SCHEMBL4148031 0.84 CASR (0.40) CASRSLC6A4HTR2CHTR1ASLC6A2
SCHEMBL13851708 0.82 CASR (0.65) CASRHTR2C
SCHEMBL2837495 0.78 HTR2C (0.41) CASRSLC6A4HTR2CHPGDHTR2A
SCHEMBL13851706 0.76 CASR (0.39) CASRSLC6A4HTR1ASLC6A2SLC6A3
SCHEMBL4145041 0.75 CASR (0.64) CASR
SCHEMBL4143491 0.69 CASR (0.67) CASRMAOB
SCHEMBL4147460 0.69 CASR (0.73) CASR
SCHEMBL13851703 0.69 KDM4E (0.50) SLC6A4HTR1ASLC6A2SLC6A3HPGD

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-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
EP-1951244-A2 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
WO-2007062370-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO 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 (1 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-20090137557-A1 Calcilytic Compounds CALCR, SOST, CALCB CASR 12/4885SLC6A4 2306/4885HTR2C 4228/4885

“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.