SCHEMBL4284686

SCHEMBL4284686

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(C(=O)O)C[C@H]2C[C@@H](O)c2cccc(C(F)(F)F)n2)c1-c1ccccc1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.30
DRD4 P21917 1/20 0.30
KCNH2 Q12809 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
SCHEMBL4296669 1.00 HTR1A (0.30) HTR1ADRD4KCNH2
SCHEMBL13705259 0.94 IDH1 (0.34)
SCHEMBL13705258 0.94 IDH1 (0.34)
Hydrochloric Acid SCHEMBL4285131 0.89 USP19 (0.33) HTR1ADRD4KCNH2
Hydrochloric Acid SCHEMBL4287483 0.89 USP19 (0.33) HTR1ADRD4KCNH2
Hydrochloric Acid SCHEMBL4281611 0.89 USP19 (0.33) HTR1ADRD4KCNH2
SCHEMBL4294366 0.88 USP19 (0.32)
SCHEMBL4295186 0.88 USP19 (0.32)
SCHEMBL4287359 0.87 HCRTR2 (0.34) HTR1ADRD4KCNH2
SCHEMBL4291366 0.83 NPC1 (0.32)

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 4012/4885DRD4 3213/4885KCNH2 664/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HTR1A 4012/4885DRD4 3213/4885KCNH2 664/4885

“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.