SCHEMBL4432178

SCHEMBL4432178

C=CC1CNCCN1c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 17/20 0.45
HTR2B P41595 12/20 0.45
HTR2A P28223 7/20 0.41
HTR6 P50406 1/20 0.39
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL5631762 0.89 HTR2C (0.46) HTR2CHTR2BHTR2AHTR6SLC6A2
SCHEMBL5630863 0.89 HTR2C (0.46) HTR2CHTR2BHTR2AHTR6SLC6A2
SCHEMBL5630855 0.89 HTR2C (0.46) HTR2CHTR2BHTR2AHTR6SLC6A2
Hydrochloric Acid SCHEMBL5632710 0.87 HTR2C (0.45) HTR2CHTR2BHTR2AHTR6SLC6A2
Hydrochloric Acid SCHEMBL5632713 0.87 HTR2C (0.45) HTR2CHTR2BHTR2AHTR6SLC6A2
SCHEMBL5633102 0.82 HTR2C (0.41) HTR2CHTR2BHTR2AHTR6SLC6A2
SCHEMBL5632697 0.82 ADRB1 (0.49) HTR2CHTR2BHTR2AHTR6
SCHEMBL5630914 0.82 ADRB1 (0.49) HTR2CHTR2BHTR2AHTR6
SCHEMBL5631014 0.82 HTR2C (0.41) HTR2CHTR2BHTR2AHTR6SLC6A2
SCHEMBL5632745 0.82 HTR2C (0.41) HTR2CHTR2BHTR2AHTR6SLC6A2

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 HTR2C 3663/4885HTR2B 3637/4885HTR2A 4298/4885
US-20090227560-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.