SCHEMBL1461189

SCHEMBL1461189

OC(CN1CCN(c2ccccn2)CC1)c1ccc(F)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.77
DRD2 P14416 6/20 0.76
DRD3 P35462 6/20 0.76
SIGMAR1 Q99720 3/20 0.76
SLC6A2 P23975 1/20 0.63
SLC6A4 P31645 1/20 0.63
SLC6A3 Q01959 1/20 0.63
HTR1A P08908 5/20 0.62
ADRB2 P07550 1/20 0.60
ADRB1 P08588 1/20 0.60
ADRB3 P13945 1/20 0.60
ADRA1D P25100 1/20 0.60
ADRA1A P35348 1/20 0.60
ADRA1B P35368 1/20 0.60
KDM4E B2RXH2 2/20 0.57
HTT P42858 2/20 0.57
LMNA P02545 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
DRD4 P21917 3/20 0.57
HTR2A P28223 4/20 0.56

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
SCHEMBL27959850 0.87 IGF1R (1.00) IGF1RDRD2DRD3SIGMAR1HTR1A
SCHEMBL13532634 0.86 DRD2 (1.00) IGF1RDRD2DRD3SIGMAR1SLC6A2
SCHEMBL11968814 0.84 IGF1R (0.55) IGF1RDRD2DRD3SIGMAR1KDM4E
SCHEMBL1460235 0.80 KMT2A (0.80) IGF1RSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL10729822 0.79 IGF1R (0.65) IGF1RDRD2DRD3SIGMAR1HTR1A
SCHEMBL10731883 0.79 IGF1R (0.65) IGF1RDRD2DRD3SIGMAR1HTR1A
SCHEMBL11969601 0.79 SLC6A2 (0.56) IGF1RDRD2DRD3SIGMAR1SLC6A2
SCHEMBL1461231 0.78 L3MBTL1 (0.58) IGF1RDRD2DRD3SIGMAR1KDM4E
SCHEMBL30874651 0.78 IGF1R (0.64) IGF1RHTR1ALMNASMN1; SMN2DRD4
SCHEMBL10587768 0.78 IGF1R (0.64) IGF1RDRD2DRD3SIGMAR1HTR1A

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-20120214798-A1 Novel Ethanediamone Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-23 US disclosed
EP-2475643-A1 NOVEL ETHANE DIAMINE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2012-07-18 EP disclosed
WO-2011026959-A1 NOVEL ETHANE DIAMINE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2011-03-10 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-20120214798-A1 Novel Ethanediamone Hepcidine Antagonists HAMP, SLC40A1, FTH1 IGF1R 2196/4885DRD2 1519/4885DRD3 2471/4885

“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.