SCHEMBL4295401

SCHEMBL4295401

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(C(=O)O)C[C@H]2CCOc2cc(C(F)(F)F)ccn2)c1-c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.33
HCRTR2 O43614 6/20 0.32
HCRTR1 O43613 5/20 0.32
SYK P43405 2/20 0.31
CHRM3 P20309 1/20 0.31
MGLL Q99685 2/20 0.31
MAP3K12 Q12852 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
CHRM4 P08173 1/20 0.31
BTK Q06187 1/20 0.30

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
SCHEMBL13705264 0.94 SYK (0.33) HTR1AHCRTR2HCRTR1SYK
SCHEMBL4296862 0.91 HCRTR1 (0.35) HCRTR2HCRTR1
SCHEMBL4281791 0.90 HCRTR2 (0.33) HCRTR2HCRTR1
SCHEMBL4287359 0.89 HCRTR2 (0.34) HTR1AHCRTR2HCRTR1
Hydrochloric Acid SCHEMBL4283050 0.88 USP19 (0.35) HTR1AHCRTR2HCRTR1CHRM3TRPV1
SCHEMBL4283425 0.88 SSTR4 (0.34) HCRTR2HCRTR1
SCHEMBL4296767 0.88 HCRTR1 (0.34) HCRTR2HCRTR1
SCHEMBL4285677 0.88 HCRTR1 (0.39) HCRTR2HCRTR1CHRM3
SCHEMBL4297031 0.86 HCRTR1 (0.39) HCRTR2HCRTR1
SCHEMBL4282962 0.86 HCRTR1 (0.34) HCRTR2HCRTR1CHRM4

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 HTR1A 4012/4885HCRTR2 3136/4885HCRTR1 3147/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HTR1A 4012/4885HCRTR2 3136/4885HCRTR1 3147/4885

“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.