SCHEMBL774436

SCHEMBL774436

NC[C@H]1C[C@@H]1c1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 16/20 1.00
HTR2B P41595 13/20 1.00
HTR2A P28223 9/20 0.66
SLC6A2 P23975 2/20 0.66
SLC6A4 P31645 2/20 0.66
SLC6A3 Q01959 2/20 0.66
MAOB P27338 4/20 0.64
KDM1A O60341 4/20 0.57
KCNH2 Q12809 2/20 0.57
RCOR1 Q9UKL0 2/20 0.57
KDM1B Q8NB78 1/20 0.57

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
SCHEMBL13742101 1.00 HTR2C (1.00) HTR2CHTR2BHTR2ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4133961 0.98 HTR2C (1.00) HTR2CHTR2BHTR2ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4133959 0.98 HTR2C (1.00) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL14697357 0.79 HTR2C (1.00) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL14708135 0.79 HTR2C (1.00) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL4893904 0.79 HTR2C (0.66) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL22334928 0.79 HTR2C (0.66) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL20570045 0.79 HTR2C (0.66) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL20570046 0.79 HTR2C (0.66) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL13742128 0.79 HTR2C (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853390-B2 Processes for preparing 1,2-substituted cyclopropyl derivatives ABBVIE INC. (US) 2014-10-07 US disclosed
US-20120071651-A1 Processes for Preparing 1,2-Substituted Cyclopropyl Derivatives ABBOTT LABORATORIES (US) 2012-03-22 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-20120071651-A1 Processes for Preparing 1,2-Substituted Cyclopropyl Derivatives HRH3, HRH4, HRH1 HTR2C 174/4885HTR2B 210/4885HTR2A 165/4885

“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.