SCHEMBL4430758

SCHEMBL4430758

C=CN1CCNCC1c1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 16/20 0.50
HTR2B P41595 13/20 0.50
HTR2A P28223 12/20 0.50
TAAR1 Q96RJ0 1/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL4432187 0.83 HTR2C (0.46) HTR2CHTR2BHTR2ATAAR1
SCHEMBL4434039 0.81 HTR2C (0.53) HTR2CHTR2BHTR2ATAAR1
SCHEMBL6446140 0.76 HTR2C (0.50) HTR2CHTR2BHTR2ATAAR1
SCHEMBL2404066 0.74 HTR2C (0.54) HTR2CHTR2BHTR2A
SCHEMBL1024269 0.71 HTR2C (0.43) HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL224424 0.70 HTR2C (0.42) HTR2CHTR2BHTR2A
SCHEMBL3558907 0.69 HTR2C (0.54) HTR2CHTR2BHTR2ATAAR1CHRNB2
SCHEMBL3558442 0.69 HTR2C (0.54) HTR2CHTR2BHTR2ATAAR1CHRNB2
SCHEMBL4430749 0.68 HTR2C (0.49) HTR2CHTR2BHTR2A
SCHEMBL2514720 0.67 HTR2C (0.81) HTR2CCHRNB2CHRNA4

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.