SCHEMBL179047

SCHEMBL179047

N[C@H]1CNCC[C@@H]1c1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.58
KDM1B Q8NB78 1/20 0.58
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A2 P23975 6/20 0.40
SLC6A4 P31645 4/20 0.40
SLC6A3 Q01959 4/20 0.40
HTR1A P08908 4/20 0.40
HTR6 P50406 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
Tert-Butyl Formate SCHEMBL27904885 0.85 KDM1A (0.43) KDM1AKDM1BHTR2CHTR2BSLC6A2
SCHEMBL179045 0.84 KDM1A (0.63) KDM1AKDM1BHTR2CHTR2BSLC6A2
SCHEMBL178948 0.81 KDM1A (0.60) KDM1AKDM1BHTR2CHTR2BSLC6A2
SCHEMBL20438980 0.81 HTR2A (0.45) KDM1AKDM1BHTR2CHTR2BSLC6A2
SCHEMBL13228876 0.80 KDM1A (0.50) KDM1AKDM1BHTR2CHTR2BSLC6A2
SCHEMBL27880809 0.79 HTR1A (0.50) KDM1AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL3333986 0.79 HTR1A (0.50) KDM1AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL29698867 0.79 HTR1A (0.50) KDM1AHTR2CSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL4891011 0.79 KDM1A (0.49) KDM1AKDM1BHTR2CHTR2BSLC6A2
Hydrochloric Acid SCHEMBL4891014 0.79 KDM1A (0.49) KDM1AKDM1BHTR2CHTR2BSLC6A2

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-20120059014-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-08 US disclosed
WO-2010103334-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 WO 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-20120059014-A1 Compounds for the Treatment of Metabolic Disorders GPR119, FFAR2, GPBAR1 KDM1A 4195/4885KDM1B 2993/4885HTR2C 1350/4885

“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.