SCHEMBL799464

SCHEMBL799464

CC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.49
KDM1A O60341 6/20 0.48
MAOB P27338 3/20 0.48
KCNH2 Q12809 2/20 0.48
RCOR1 Q9UKL0 2/20 0.48
KDM1B Q8NB78 1/20 0.48
MAOA P21397 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HDAC4 P56524 1/20 0.44
TLR2 O60603 1/20 0.44
TLR1 Q15399 1/20 0.44
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
LMNA P02545 1/20 0.43
FFAR1 O14842 1/20 0.42
SLC6A4 P31645 1/20 0.41

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
SCHEMBL455245 0.82 FFAR1 (0.59) HRH3KDM1AMAOBKCNH2RCOR1
SCHEMBL806142 0.82 FFAR1 (0.59) HRH3KDM1AMAOBKCNH2RCOR1
SCHEMBL21845792 0.82 ALDH1A1 (0.64) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL799467 0.82 FFAR1 (0.59) HRH3KDM1AMAOBKCNH2RCOR1
SCHEMBL437376 0.82 FFAR1 (0.59) HRH3KDM1AMAOBKCNH2RCOR1
SCHEMBL24890441 0.82 KDM1A (0.50) HRH3KDM1AMAOBKCNH2RCOR1
SCHEMBL799523 0.82 ALDH1A1 (0.64) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL21501045 0.82 FFAR1 (0.59) HRH3KDM1AMAOBKCNH2RCOR1
SCHEMBL455246 0.82 FFAR1 (0.59) HRH3KDM1AMAOBKCNH2RCOR1
SCHEMBL4719284 0.82 FFAR1 (0.59) HRH3KDM1AMAOBKCNH2RCOR1

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 HRH3 1/4885KDM1A 1116/4885MAOB 976/4885

“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.