SCHEMBL4965535

SCHEMBL4965535

c1c(COC2CCCCC2)cc(COC2CCCCC2)cc1COC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.43
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
HTR2B P41595 1/20 0.40
HTR3A P46098 1/20 0.40
HTR4 Q13639 1/20 0.40
NPC1 O15118 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38

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
SCHEMBL4961595 0.87 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL4962479 0.86 CARM1 (0.48) GRM5SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL18615722 0.83 TACR1 (0.42) GRM5KDM4E
SCHEMBL61112 0.80 CTSL (0.56) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL9131464 0.80 CTSL (0.56) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL18615734 0.80 ALDH1A1 (0.57) GRM5SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL14394540 0.80 SMN1; SMN2 (0.43) GRM5SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL1837027 0.79 NPC1 (0.46) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL1837908 0.79 NPC1 (0.46) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL1836248 0.79 NPC1 (0.46) SLC6A2SLC6A4SLC6A3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1314725-B1 SULFONIUM SALT COMPOUND WAKO PURE CHEM IND LTD (JP) 2008-03-19 EP disclosed
US-6924323-B2 Sulfonium salt compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-02 US disclosed
US-6723483-B1 Sulfonium salt compounds WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-20 US disclosed
US-20040033434-A1 Sulfonium salt compound FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2004-02-19 US disclosed
EP-1314725-A1 SULFONIUM SALT COMPOUND Wako Pure Chemical Industries, Ltd. (JP) 2003-05-28 EP 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-20040033434-A1 Sulfonium salt compound SPIN1, RER1, SPIN2B GRM5 853/4885SLC6A2 2038/4885SLC6A4 1039/4885

“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.