SCHEMBL4641341

SCHEMBL4641341

CCOC(=O)C(Cc1c[nH]c2cc(F)c(F)cc12)NC(=O)c1cc(-c2cc(F)cc(C(=O)NC)c2)cc2c1OCCCC2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 2/20 0.36
ICAM1 P05362 2/20 0.36
ITGAL P20701 2/20 0.36
MAPT P10636 5/20 0.35
SCN9A Q15858 1/20 0.34
TACR1 P25103 4/20 0.34
HTR1A P08908 3/20 0.34
SLC6A4 P31645 3/20 0.34
THRB P10828 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL4641320 0.90 ITGB2 (0.33) ITGB2ICAM1ITGALMAPTSCN9A
SCHEMBL14091801 0.87 HTR1A (0.34) ITGB2ICAM1ITGALHTR1ASLC6A4
SCHEMBL4962098 0.85 ITGB2 (0.49) ITGB2ICAM1ITGALMAPTTACR1
SCHEMBL4962092 0.85 ITGB2 (0.49) ITGB2ICAM1ITGALMAPTTACR1
SCHEMBL4802320 0.80 ITGB2 (0.44) ITGB2ICAM1ITGALMAPTTACR1
SCHEMBL14091790 0.80 HTR1A (0.42) ITGB2ICAM1ITGALHTR1ASLC6A4
SCHEMBL14091799 0.80 HTR1A (0.36) ITGB2ICAM1ITGALHTR1ASLC6A4
SCHEMBL14091791 0.78 ITGB2 (0.45) ITGB2ICAM1ITGALMAPTTACR1
SCHEMBL14091793 0.77 GPR84 (0.33) ITGB2ICAM1ITGALHTR1ASLC6A4
SCHEMBL14091846 0.77 ITGB2 (0.44) ITGB2ICAM1ITGALMAPTHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 ITGB2 4184/4885ICAM1 4069/4885ITGAL 4220/4885

“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.