SCHEMBL4614532

SCHEMBL4614532

NC(=O)c1[nH]c2ccc(F)cc2c1C[CH]CO

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 2/20 0.52
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MPO P05164 3/20 0.39
CNR1 P21554 2/20 0.38
JAK2 O60674 4/20 0.38
SLC6A4 P31645 1/20 0.38
JAK3 P52333 1/20 0.38
FEN1 P39748 1/20 0.37
NOTUM Q6P988 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 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
SCHEMBL4640371 0.90 MAP2 (0.43) MAP2PTGS1PTGS2FEN1
SCHEMBL4641267 0.84 MAP2 (0.40) MAP2PTGS1PTGS2MPO
SCHEMBL4033965 0.81 MAP2 (0.50) MAP2KDM4E
SCHEMBL4644644 0.80 MAP2 (0.40) MAP2
SCHEMBL4615707 0.76 GPR17 (0.49) MAP2PTGS2
SCHEMBL4642042 0.74 FEN1 (0.37) MAP2KDM4EFEN1
SCHEMBL2730512 0.73 MAP2 (0.61) MAP2PTGS1PTGS2KDM4ECNR1
SCHEMBL4666069 0.70 MAP2 (0.48) MAP2KDM4E
SCHEMBL5066580 0.70 NPSR1 (0.44) MAP2KDM4E
SCHEMBL5117028 0.70 NGFR (0.40) MAP2KDM4E

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 7 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 claimed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US claimed
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
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 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 (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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 MAP2 1805/4885PTGS1 2754/4885PTGS2 3128/4885
US-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R MAP2 2645/4885PTGS1 2306/4885PTGS2 2376/4885

“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.