SCHEMBL4218072

SCHEMBL4218072

Cc1cc(F)ccc1CN1CCO[C@@H](CNC(=O)CSc2ccc(C(=O)OC(C)(C)C)cc2F)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.39
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADRA2B P18089 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2B P41595 1/20 0.37
KCNH2 Q12809 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
MCHR1 Q99705 1/20 0.37

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
SCHEMBL4225500 0.89 ACKR3 (0.42) ACKR3KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL4221350 0.87 CCR3 (0.43) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL4221347 0.87 CCR3 (0.43) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL4218076 0.84 GRIN2B (0.35) KMT2AALDH1A1MEN1GRIN2BRXRB
SCHEMBL4216333 0.74 ALDH1A1 (0.48) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL4216323 0.74 ALDH1A1 (0.48) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL4225493 0.71 GRIN2B (0.35) KMT2AALDH1A1MEN1KCNH2GRIN2B
SCHEMBL4220805 0.70 CCR3 (0.52) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL4220809 0.70 CCR3 (0.52) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1810027 0.69 HPGD (0.46) ACKR3KMT2AALDH1A1CYP1A2CYP2C9

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-20090118288-A1 N-Benzyl-Morpholine Derivatives as Modulators of the Chemokine Receptor ASTRAZENECA AB (SE) 2009-05-07 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-20090118288-A1 N-Benzyl-Morpholine Derivatives as Modulators of the Chemokine Receptor CCR3, CCR1, CCR5 ACKR3 7/4885KMT2A 4599/4885ALDH1A1 3009/4885

“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.