SCHEMBL179045

SCHEMBL179045

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

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.63
KDM1B Q8NB78 3/20 0.63
HTR2C P28335 3/20 0.46
HTR2B P41595 3/20 0.46
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
HTR2A P28223 2/20 0.37
HTR1A P08908 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
RCOR1 Q9UKL0 1/20 0.36

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
SCHEMBL179047 0.84 KDM1A (0.58) KDM1AKDM1BHTR2CHTR2BHTR1A
SCHEMBL13186510 0.79 HTR2C (0.49) KDM1AKDM1BHTR2CHTR2BCHRNB2
SCHEMBL179110 0.79 KDM1A (0.66) KDM1AKDM1BHTR2CHTR2BCHRNB2
SCHEMBL15541761 0.78 KDM1A (1.00) KDM1AKDM1BHTR2CHTR2BMAOA
SCHEMBL28134528 0.78 KDM1A (1.00) KDM1AKDM1BHTR2CHTR2BMAOA
SCHEMBL15541116 0.78 KDM1A (1.00) KDM1AKDM1BHTR2CHTR2BMAOA
SCHEMBL12064742 0.77 HTR2C (0.46) KDM1AKDM1BHTR2CHTR2BCHRNB2
Hydrochloric Acid SCHEMBL16987728 0.76 KDM1A (0.96) KDM1AKDM1BHTR2CHTR2BMAOA
SCHEMBL29941500 0.76 CHRNB2 (0.47) KDM1AKDM1BCHRNB2CHRNA4CHRNB4
SCHEMBL470620 0.76 CHRNB2 (0.47) KDM1AKDM1BCHRNB2CHRNA4CHRNB4

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.