SCHEMBL4434035

SCHEMBL4434035

C=CC1CNCCN1c1ccccc1OC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.50
HTR2B P41595 11/20 0.50
HTR2A P28223 7/20 0.50
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 0.38
KCNH2 Q12809 4/20 0.38
CYP2D6 P10635 3/20 0.38
SLC6A3 Q01959 2/20 0.37
HCAR1 Q9BXC0 2/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
ADRB1 P08588 1/20 0.34
DRD2 P14416 1/20 0.34
CYP2C19 P33261 1/20 0.34
DRD3 P35462 1/20 0.34
HTR3A P46098 1/20 0.34
HTR6 P50406 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL4430749 0.81 HTR2C (0.49) HTR2CHTR2BHTR2AHTR6
SCHEMBL4432178 0.79 HTR2C (0.45) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL5631361 0.76 HTR2C (0.37) HTR2CHTR2BHTR2AHTR6
SCHEMBL5634074 0.76 HTR2C (0.37) HTR2CHTR2BHTR2AHTR6
SCHEMBL5631356 0.76 HTR2C (0.37) HTR2CHTR2BHTR2AHTR6
SCHEMBL5630914 0.76 ADRB1 (0.49) HTR2CHTR2BHTR2AADRB1HTR3A
SCHEMBL5631014 0.76 HTR2C (0.41) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL5632697 0.76 ADRB1 (0.49) HTR2CHTR2BHTR2AADRB1HTR3A
SCHEMBL5633102 0.76 HTR2C (0.41) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL5632745 0.76 HTR2C (0.41) HTR2CHTR2BHTR2ASLC6A2SLC6A4

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 HTR2C 3663/4885HTR2B 3637/4885HTR2A 4298/4885

“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.