SCHEMBL6761876

SCHEMBL6761876

CNCC1COc2ccc(Cl)cc2O1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.65
CA1 P00915 1/20 0.58
HTR6 P50406 1/20 0.57
DRD2 P14416 3/20 0.51
DRD4 P21917 3/20 0.51
DRD3 P35462 3/20 0.51
HTR1A P08908 1/20 0.51
ADRA1D P25100 1/20 0.51
HTR2C P28335 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
FFAR1 O14842 7/20 0.49
NPC1 O15118 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.43
ESR2 Q92731 1/20 0.43
MTNR1A P48039 1/20 0.43
CYP2C9 P11712 1/20 0.42

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
SCHEMBL9120130 0.94 CA2 (0.65) CA2CA1HTR6DRD2DRD4
SCHEMBL16089590 0.83 CA2 (0.58) CA2CA1DRD2DRD4DRD3
SCHEMBL27749911 0.81 CA2 (0.64) CA2CA1HTR6DRD2DRD4
SCHEMBL11025999 0.81 CA2 (0.59) CA2CA1DRD2DRD4DRD3
SCHEMBL1044791 0.80 CA2 (0.58) CA2CA1DRD2DRD4DRD3
SCHEMBL4764921 0.80 CA2 (0.62) CA2CA1DRD2DRD4DRD3
SCHEMBL28709527 0.80 CA2 (0.58) CA2CA1DRD2DRD4DRD3
SCHEMBL1119121 0.80 CA2 (0.58) CA2CA1DRD2DRD4DRD3
SCHEMBL15864967 0.80 CA2 (0.58) CA2CA1DRD2DRD4DRD3
SCHEMBL29444759 0.80 CA2 (0.58) CA2CA1DRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040039023-A1 Therapeutic agents KNOLL GMBH (DE) 2004-02-26 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-20040039023-A1 Therapeutic agents AMY1A, PARK7, SNCA CA2 2894/4885CA1 1180/4885HTR6 338/4885

“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.