SCHEMBL5155947

SCHEMBL5155947

CCCOc1ccc(-c2c(C)noc2C)cc1C(=O)N[C@H](O)C(C)c1cn(C)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.40
S1PR3 Q99500 1/20 0.37
HDAC3 O15379 7/20 0.36
HDAC1 Q13547 7/20 0.36
HDAC4 P56524 6/20 0.36
HDAC7 Q8WUI4 6/20 0.36
HDAC2 Q92769 6/20 0.36
HDAC10 Q969S8 6/20 0.36
HDAC11 Q96DB2 6/20 0.36
HDAC8 Q9BY41 6/20 0.36
HDAC6 Q9UBN7 6/20 0.36
HDAC9 Q9UKV0 6/20 0.36
HDAC5 Q9UQL6 6/20 0.36
BRD4 O60885 3/20 0.36
BRD2 P25440 2/20 0.36
BRD3 Q15059 1/20 0.36
CREBBP Q92793 2/20 0.36
FTO Q9C0B1 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL5155937 1.00 CNR2 (0.40) CNR2S1PR3HDAC3HDAC1HDAC4
SCHEMBL4601319 0.84 BRD4 (0.39) CNR2HDAC3HDAC1HDAC4HDAC7
SCHEMBL5149423 0.82 MEN1 (0.39) CNR2LMNA
SCHEMBL5149435 0.82 MEN1 (0.39) CNR2LMNA
SCHEMBL5155943 0.80 BRD4 (0.39) CNR2HDAC3HDAC1HDAC4HDAC7
SCHEMBL14610863 0.71 CYP3A4 (0.47) BRD4BRD2BRD3CREBBPFTO
SCHEMBL14557667 0.69 PPARG (0.42) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL14557712 0.68 KDM4E (0.38) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL14557950 0.67 PPARG (0.41) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL14557669 0.67 PPARG (0.43) HDAC3HDAC1HDAC4HDAC7HDAC2

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 CNR2 127/4885S1PR3 216/4885HDAC3 736/4885

“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.