SCHEMBL4295398

SCHEMBL4295398

O=C(O)N[C@H]1CCCC[C@@H]1n1cnc(C(=O)N2CCNC[C@H]2CCOc2ccccc2F)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 7/20 0.42
HCRTR2 O43614 7/20 0.42
SSTR4 P31391 1/20 0.35
TSPO P30536 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR2B P41595 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL4295796 0.93 HCRTR2 (0.40) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL4288875 0.92 HCRTR1 (0.43) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL4284587 0.92 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL4281702 0.91 HCRTR1 (0.41) HCRTR1HCRTR2KDM4EALDH1A1
SCHEMBL4287970 0.90 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL4293415 0.90 HCRTR1 (0.44) HCRTR1HCRTR2ALDH1A1
SCHEMBL4282750 0.89 HCRTR1 (0.37) HCRTR1HCRTR2SSTR4KDM4EALDH1A1
SCHEMBL4287699 0.89 HCRTR1 (0.43) HCRTR1HCRTR2ALDH1A1
SCHEMBL4288806 0.89 HCRTR1 (0.39) HCRTR1HCRTR2KDM4EALDH1A1
SCHEMBL4283473 0.89 HCRTR1 (0.44) HCRTR1HCRTR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885SSTR4 945/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885SSTR4 945/4885

“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.