SCHEMBL4434037

SCHEMBL4434037

C=CN1CCNCC1(OC(F)(F)F)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
SLC6A4 P31645 2/20 0.30
TACR1 P25103 1/20 0.30
CYP2D6 P10635 1/20 0.30
SLC6A2 P23975 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
SCHEMBL4430753 0.77 HTR2A (0.36) HTR2A
SCHEMBL4432181 0.75 HTR2A (0.39) HTR2ACYP2D6
SCHEMBL17372634 0.74 OPRM1 (0.33) HTR2ASLC6A4TACR1CYP2D6SLC6A2
SCHEMBL16915168 0.64 PKM (0.36) TACR1
SCHEMBL6002896 0.62 HTR2A (0.38) HTR2ASLC6A4TACR1KCNH2
SCHEMBL11287253 0.60 OPRM1 (0.38) HTR2ASLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL16151035 0.60 SIGMAR1 (0.46)
SCHEMBL27449591 0.60 LMNA (0.35) HTR2A
SCHEMBL5915123 0.59 OPRM1 (0.39) HTR2ASLC6A4KCNH2
SCHEMBL28775360 0.59 HTR2A (0.53) HTR2ASLC6A4TACR1SLC6A2

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-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 (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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HTR2A 4298/4885SLC6A4 529/4885TACR1 97/4885

“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.