SCHEMBL4432181

SCHEMBL4432181

C=CN1CCNCC1(F)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
SIGMAR1 Q99720 2/20 0.33
KMT2A Q03164 2/20 0.33
HTR3A P46098 2/20 0.33
OPRM1 P35372 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
TET3 O43151 1/20 0.33
FBXL19 Q6PCT2 1/20 0.33
CXXC5 Q7LFL8 1/20 0.33
TET1 Q8NFU7 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
CXXC4 Q9H2H0 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL4430753 0.78 HTR2A (0.36) HTR2ASIGMAR1HTR3AOPRM1HTR3E
SCHEMBL11034435 0.76 HTR2A (0.42) HTR2ASIGMAR1KMT2AHTR3AOPRM1
SCHEMBL4434037 0.75 HTR2A (0.33) HTR2ACYP2D6
SCHEMBL27296891 0.73 KMT2A (0.33) HTR2AKMT2AHTR3ATET3FBXL19
SCHEMBL8588165 0.72 HTR2A (0.39) HTR2ASIGMAR1HTR3AOPRM1HTR3E
SCHEMBL8406263 0.70 MEN1 (0.37) HTR2AKMT2AHTR3AOPRM1ADRB1
SCHEMBL5915111 0.70 OPRM1 (0.40) HTR2ASIGMAR1OPRM1
SCHEMBL8223305 0.68 FAAH (0.38) HTR2ASIGMAR1KMT2AOPRM1MEN1
SCHEMBL28532918 0.67 HTR2A (0.34) HTR2A
SCHEMBL8501536 0.64

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 HTR2A 4298/4885SIGMAR1 3163/4885KMT2A 1049/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HTR2A 4298/4885SIGMAR1 3163/4885KMT2A 1049/4885

“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.