SCHEMBL23633849

SCHEMBL23633849

CC(C)N1CCc2ccc(CS(C)(=O)=O)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HTR2A P28223 4/20 0.33
▸ HTR2C P28335 4/20 0.33
▸ HTR2B P41595 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ DRD2 P14416 2/20 0.32

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
SCHEMBL19675614 0.80 HTR2C (0.37) NOTUMMAPTPOLBALDH1A1TSHR
SCHEMBL23633844 0.79 HTR2C (0.36) NOTUMTSHRHTR2AHTR2CHTR2B
SCHEMBL23633850 0.79 HTR2C (0.39) NOTUMTSHRHTR2AHTR2CHTR2B
SCHEMBL23633824 0.79 HTR2A (0.39) NOTUMHTR2AHTR2CHTR2BCYP1A2
SCHEMBL20381958 0.78 HTR2C (0.47) NOTUMHTR2AHTR2CHTR2BCYP1A2
SCHEMBL24358930 0.77 GAA (0.47) ALDH1A1HTR2AHTR2CCYP1A2CYP3A4
SCHEMBL14531012 0.75 XIAP (0.45) ALDH1A1HRH3SLC22A12
SCHEMBL19115422 0.74 HTR2C (0.37) NOTUMHTR2AHTR2CHTR2BCYP1A2
SCHEMBL19675746 0.73 ATAD2 (0.40) NOTUMMAPTMEN1ALDH1A1KMT2A
SCHEMBL19708000 0.72 ALDH1A1 (0.40) MAPTMEN1ALDH1A1TSHRKMT2A

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-11059977-B2 Near-infrared-absorbing dye, optical filter, and imaging device AGC Inc. (JP) 2021-07-13 — — 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-11059977-B2 Near-infrared-absorbing dye, optical filter, and imaging device CRY2, CRY1, LBR NOTUM 550/4885MAPT 1332/4885POLB 1816/4885

“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.

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