SCHEMBL106063

SCHEMBL106063

C/C=C\c1cc(C(OCOC)(C(F)(F)F)C(F)(F)F)ccc1N1CCCNCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.34
CHRNA4 P43681 6/20 0.34
HTR3A P46098 6/20 0.33
HTR3E A5X5Y0 3/20 0.33
HTR3B O95264 3/20 0.33
HTR3D Q70Z44 3/20 0.33
HTR3C Q8WXA8 3/20 0.33
HTR2B P41595 4/20 0.32
HTR7 P34969 3/20 0.32
HTR1A P08908 2/20 0.32
HTR1D P28221 1/20 0.32
HTR6 P50406 3/20 0.32
NCF1 P14598 2/20 0.31
ADRB2 P07550 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADRA2A P08913 1/20 0.30
HTR2C P28335 1/20 0.30
AXL P30530 1/20 0.30
HRH1 P35367 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30

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
SCHEMBL106064 1.00 CHRNB2 (0.34) CHRNB2CHRNA4HTR3AHTR3EHTR3B
SCHEMBL104568 0.83 HTR2C (0.32) HTR2BHTR2C
SCHEMBL138523 0.81 HTR1A (0.41) HTR3AHTR1AHTR6ADRB2
SCHEMBL138524 0.81 HTR1A (0.41) HTR3AHTR1AHTR6ADRB2
SCHEMBL142053 0.81 CHRNB2 (0.34) CHRNB2CHRNA4HTR3AHTR3EHTR3B
SCHEMBL105408 0.80 CHRNB2 (0.36) CHRNB2CHRNA4HTR3AHTR2BHTR7
SCHEMBL105409 0.80 CHRNB2 (0.36) CHRNB2CHRNA4HTR3AHTR2BHTR7
SCHEMBL105423 0.75
SCHEMBL106913 0.75
SCHEMBL106509 0.75 MEN1 (0.39) DRD2DRD3SIGMAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 CHRNB2 678/4885CHRNA4 1213/4885HTR3A 3100/4885

“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.