SCHEMBL179110

SCHEMBL179110

N[C@H]1CNC[C@@H]1c1cc(F)ccc1F

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.66
KDM1B Q8NB78 2/20 0.66
HTR2C P28335 3/20 0.47
CHRNB2 P17787 2/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNA4 P43681 2/20 0.46
HTR2A P28223 2/20 0.41
HTR2B P41595 1/20 0.40
DPP4 P27487 2/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CHRNA7 P36544 1/20 0.36
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 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
SCHEMBL13186510 0.86 HTR2C (0.49) KDM1AKDM1BHTR2CCHRNB2CHRNB4
SCHEMBL178948 0.85 KDM1A (0.60) KDM1AKDM1BHTR2CCHRNB2CHRNB4
SCHEMBL12064742 0.85 HTR2C (0.46) KDM1AKDM1BHTR2CCHRNB2CHRNA4
SCHEMBL29941500 0.80 CHRNB2 (0.47) KDM1AKDM1BCHRNB2CHRNB4CHRNA3
SCHEMBL470620 0.80 CHRNB2 (0.47) KDM1AKDM1BCHRNB2CHRNB4CHRNA3
SCHEMBL461043 0.80 HTR2C (0.44) KDM1AKDM1BHTR2CCHRNB2CHRNB4
SCHEMBL461044 0.80 HTR2C (0.44) KDM1AKDM1BHTR2CCHRNB2CHRNB4
SCHEMBL461045 0.80 HTR2C (0.44) KDM1AKDM1BHTR2CCHRNB2CHRNB4
SCHEMBL179045 0.79 KDM1A (0.63) KDM1AKDM1BHTR2CCHRNB2CHRNB4
SCHEMBL18998216 0.76 KDM1A (0.47) KDM1AKDM1BHTR2CCHRNB2CHRNB4

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 3 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-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 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.