SCHEMBL6801440

SCHEMBL6801440

COc1cccc(C(=O)Nc2ccc3c(c2)CCN3C(=O)Cc2ccccn2)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTTP P55157 6/20 0.52
SMO Q99835 5/20 0.52
APOB P04114 5/20 0.52
HTR2A P28223 6/20 0.52
HTR2C P28335 6/20 0.52
HTR2B P41595 5/20 0.52
CYP1A2 P05177 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL6804070 0.91 MEN1 (0.46) MTTPSMOAPOBHTR2AHTR2C
SCHEMBL6798908 0.91 HTR2C (0.45) MTTPAPOBHTR2AHTR2CHTR2B
SCHEMBL6801694 0.91 MTTP (0.64) MTTPSMOAPOB
SCHEMBL6799230 0.91 HTR2C (0.50) MTTPAPOBHTR2AHTR2CHTR2B
SCHEMBL6668416 0.89 HTR2C (0.49) MTTPSMOAPOBHTR2AHTR2C
SCHEMBL6805026 0.89 HTR2C (0.51) MTTPSMOAPOBHTR2AHTR2C
SCHEMBL6809846 0.89 MTTP (0.52) MTTPSMOAPOBHTR2AHTR2C
SCHEMBL6799789 0.87 SMO (0.54) MTTPSMOAPOBHTR2AHTR2C
SCHEMBL6801403 0.86 SMO (0.50) MTTPSMOAPOBHTR2AHTR2C
SCHEMBL6804688 0.86 SMO (0.61) MTTPSMOAPOBHTR2AHTR2C

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-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 MTTP 108/4885SMO 4390/4885APOB 1/4885

“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.