SCHEMBL5156045

SCHEMBL5156045

CCCOc1ccc(-c2cnc(F)c(C)c2)cc1C(=O)NC(O)Cc1c[nH]c2ccc(F)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.40
NOTUM Q6P988 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
HTR2A P28223 2/20 0.38
HTR1A P08908 2/20 0.38
SPR P35270 1/20 0.38
NR3C1 P04150 1/20 0.38
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
MEN1 O00255 1/20 0.37
PPARG P37231 1/20 0.37
KMT2A Q03164 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
MPO P05164 3/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL4601336 0.91 CCKBR (0.39) CCKBRNOTUMMTNR1AMTNR1BHTR2A
SCHEMBL4602247 0.83 HDAC3 (0.41) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL14557647 0.83 HDAC3 (0.41) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL14557719 0.80 ITGB2 (0.39) CCKBRNOTUMMTNR1AMTNR1BHTR2A
SCHEMBL14610637 0.80 ICMT (0.41) CCKBRNOTUMMTNR1AMTNR1BHTR2A
SCHEMBL14557731 0.79 NR3C1 (0.40) CCKBRNOTUMMTNR1AMTNR1BHTR2A
SCHEMBL14557691 0.79 HTR2A (0.40) CCKBRNOTUMMTNR1AMTNR1BHTR2A
SCHEMBL4600979 0.79 TDO2 (0.42) CCKBRNOTUMMTNR1AMTNR1BHTR2A
SCHEMBL14557728 0.79 HTR2A (0.38) CCKBRNOTUMMTNR1AMTNR1BHTR2A
SCHEMBL4603009 0.79 ROCK2 (0.43) CCKBRHTR2AHTR1ASPRHTR2C

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 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 (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-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R CCKBR 249/4885NOTUM 2978/4885MTNR1A 21/4885

“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.