SCHEMBL16844447

SCHEMBL16844447

COc1ccc(S(=O)(=O)n2ccc3ccc(Br)cc32)cc1N1CCN(C)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 1.00
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
HTR1A P08908 1/20 0.55
CYP2D6 P10635 1/20 0.55
DRD2 P14416 1/20 0.55
HTR1D P28221 1/20 0.55
HTR1B P28222 1/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
HTR1E P28566 1/20 0.55
HTR1F P30939 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTR7 P34969 1/20 0.55
ADRA1B P35368 1/20 0.55
DRD3 P35462 1/20 0.55
HTR2B P41595 1/20 0.55
HTR4 Q13639 1/20 0.55

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
SCHEMBL16844466 0.92 HTR6 (1.00) HTR6CYP1A2CYP3A4HTR1ACYP2D6
SCHEMBL18036649 0.89 HTR6 (1.00) HTR6
SCHEMBL16844467 0.88 HTR6 (1.00) HTR6
SCHEMBL16844455 0.88 HTR6 (1.00) HTR6
SCHEMBL18036668 0.85 HTR6 (0.74) HTR6
SCHEMBL18053629 0.82 HTR6 (0.83) HTR6
SCHEMBL16844413 0.82 HTR6 (0.81) HTR6
SCHEMBL16844449 0.82 HTR6 (1.00) HTR6
SCHEMBL16844420 0.82 HTR6 (1.00) HTR6
SCHEMBL16844453 0.81 HTR6 (1.00) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083588-B1 AROMATIC HETEROCYCLIC COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS SUNSHINE LAKE PHARMA CO LTD (CN) 2020-12-09 EP disclosed
EP-3083588-B1 AROMATIC HETEROCYCLIC COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS SUNSHINE LAKE PHARMA CO LTD (CN) 2020-12-09 EP disclosed
US-9663498-B2 Aromatic heterocyclic compounds and their application in pharmaceuticals SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-05-30 US disclosed
US-9663498-B2 Aromatic heterocyclic compounds and their application in pharmaceuticals SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-05-30 US disclosed
US-9663498-B2 Aromatic heterocyclic compounds and their application in pharmaceuticals SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-05-30 US disclosed
US-20160251339-A1 AROMATIC HETEROCYCLIC COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-09-01 US disclosed
US-20160251339-A1 AROMATIC HETEROCYCLIC COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-09-01 US disclosed
US-20160251339-A1 AROMATIC HETEROCYCLIC COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-09-01 US disclosed
WO-2015090233-A1 AROMATIC HETEROCYCLIC COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-06-25 WO 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-20160251339-A1 AROMATIC HETEROCYCLIC COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS MAPT, APP, PSEN1 HTR6 294/4885CYP1A2 111/4885CYP3A4 73/4885

“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.