SCHEMBL20986934

SCHEMBL20986934

O=S1(=O)c2ccccc2CN1C1CCCNC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
HTR2B P41595 5/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
HTR6 P50406 3/20 0.37
HTR2C P28335 4/20 0.37
PIK3CD O00329 3/20 0.36
PIK3R2 O00459 3/20 0.36
PIK3CA P42336 3/20 0.36
PIK3CB P42338 3/20 0.36
PIK3CG P48736 3/20 0.36
PIK3R5 Q8WYR1 3/20 0.36
PIK3R3 Q92569 3/20 0.36
HTR2A P28223 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL20986933 1.00 PARP1 (0.41) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL3554115 0.74 HTR2C (0.49) HTR2BHTR2CHTR2A
SCHEMBL31246891 0.72 PARP1 (0.45) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL31227444 0.72 PARP1 (0.45) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL21614132 0.68 PARP1 (0.59) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30366187 0.68 PARP1 (0.59) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL24761857 0.67 ADAM17 (0.39) FFAR1FFAR4PER2CRY1CRY2
SCHEMBL6588816 0.67 SLC18A3 (0.51) PARP1HTR2BHTR6HTR2CHTR2A
SCHEMBL23697537 0.66 HTR2B (0.55) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL13595229 0.66 KEAP1 (0.39) HTR2BHTR2CPIK3CDPIK3R2PIK3CA

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-20190152992-A1 BENZODIOXANE DERIVATIVES AND THEIR PHARMACEUTICAL USE ORION CORPORATION (FI) 2019-05-23 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-20190152992-A1 BENZODIOXANE DERIVATIVES AND THEIR PHARMACEUTICAL USE TBXA2R, ADRA2C, ADRB2 PARP1 1967/4885HTR2B 80/4885HTR3E 329/4885

“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.