SCHEMBL5149351

SCHEMBL5149351

CCCOc1ccc(I)cc1C(=O)N[C@](C)(O)Cc1c[nH]c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.41
CNR2 P34972 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
PKM P14618 1/20 0.38
CFTR P13569 1/20 0.38
KCNA5 P22460 1/20 0.38
PTGS2 P35354 1/20 0.38
TACR1 P25103 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL4029370 0.88 HTR1A (0.42) ANO1
SCHEMBL4034270 0.86 KMT2A (0.46) ANO1KMT2AMEN1KCNA5TACR1
SCHEMBL5149429 0.81 KDM4E (0.40) KMT2AMEN1KDM4EALDH1A1
SCHEMBL5172047 0.81 CCKBR (0.44) KMT2AMEN1TACR1KDM4EALDH1A1
SCHEMBL4599804 0.81 CCKBR (0.44) KMT2AMEN1TACR1KDM4EALDH1A1
SCHEMBL4029965 0.78 CDK4 (0.47) ANO1KMT2AMEN1ALDH1A1
SCHEMBL4632724 0.77 GPR84 (0.40) KMT2AMEN1KDM4EMAPK1CYP2D6
SCHEMBL14610432 0.75 ADRB3 (0.43) TACR1
SCHEMBL5149356 0.75 KDM4E (0.38) CNR2KMT2AMEN1CFTRKDM4E
SCHEMBL5149347 0.75 KDM4E (0.38) CNR2KMT2AMEN1CFTRKDM4E

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 ANO1 2687/4885CNR2 127/4885KMT2A 916/4885

“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.