SCHEMBL22622686

SCHEMBL22622686

Cc1ccc(CCc2ccc(C)c(C3CC3)c2F)c(C2CC2)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
HTR1A P08908 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
SCHEMBL18842728 0.87 TAAR1 (0.33) DRD2DRD4DRD3TAAR1PTGDR2
SCHEMBL21386549 0.83 DRD2 (0.32) DRD2DRD4DRD3TAAR1PTGDR2
SCHEMBL22109012 0.78 SLC6A2 (0.33) DRD2DRD4DRD3PTGDR2SLC6A2
SCHEMBL21095875 0.76 PSMB5 (0.34)
SCHEMBL16962103 0.75 PTGDR2 (0.37) DRD2DRD4DRD3TAAR1PTGDR2
SCHEMBL21226545 0.75 PTGS1 (0.34) SLC6A3
SCHEMBL20033519 0.74 HTR2A (0.32)
SCHEMBL20150824 0.73 PTGS1 (0.30)
SCHEMBL21577568 0.73 HTR2A (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL16954238 0.71 MAPT (0.42) DRD2DRD4DRD3PTGDR2SLC6A2

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-11739265-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-08-29 US disclosed
US-20230025385-A1 FLUORINATED AROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2023-01-26 US disclosed
US-20200347301-A1 Isothiocyanato-tolanes MERCK PATENT GMBH (DE) 2020-11-05 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 (2 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-20230025385-A1 FLUORINATED AROMATIC COMPOUNDS TRPA1, FOXM1, AFF1 DRD2 2550/4885DRD4 3007/4885DRD3 2947/4885
US-11739265-B2 Aromatic isothiocyanates TRPA1, CRY1, FOXM1 DRD2 2640/4885DRD4 2898/4885DRD3 3228/4885

“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.