SCHEMBL949635

SCHEMBL949635

O=S(=O)(c1ccccc1)c1cnc2c(C3CCN(Cc4ccccc4)C3)cccc2c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.55
HTR2A P28223 5/20 0.55
HTR2B P41595 1/20 0.55
DRD2 P14416 2/20 0.49
HTR1A P08908 1/20 0.49
HTR7 P34969 1/20 0.49
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
USP30 Q70CQ3 1/20 0.41
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL949399 0.80 HTR6 (0.60) HTR6HTR2AHTR2BDRD2HTR1A
SCHEMBL2445495 0.80 DRD2 (0.49) HTR6HTR2ADRD2ALDH1A1KDM4E
SCHEMBL3649625 0.78 HTR2A (0.60) HTR6HTR2AHTR2BDRD2HTR1A
SCHEMBL949542 0.78 HTR2A (0.52) HTR6HTR2AHTR2BDRD2HTR1A
SCHEMBL2450282 0.77 HTR6 (0.61) HTR6HTR2AHTR2BDRD2HTR1A
SCHEMBL2447533 0.77 HTR6 (0.58) HTR6HTR2AHTR2BDRD2HTR1A
Hydrochloric Acid SCHEMBL951642 0.76 HTR6 (0.60) HTR6HTR2AHTR2BDRD2HTR1A
Hydrochloric Acid SCHEMBL949561 0.76 HTR6 (0.57) HTR6HTR2AHTR2BDRD2HTR1A
SCHEMBL3643433 0.76 HTR2A (0.58) HTR6HTR2ADRD2HTR1AHTR7
SCHEMBL13948474 0.74 HTR7 (0.48) HTR6HTR2AHTR2BDRD2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139880-B1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-09-14 EP claimed
US-8242102-B2 Quinoline compounds suitable for treating disorders that respond to modulation of the serotonin 5-HT6 receptor ABBOTT GMBH & CO. KG (DE) 2012-08-14 US disclosed
EP-2139880-B1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-09-14 EP disclosed
US-20110009380-A1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2011-01-13 US disclosed
EP-2139880-A1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DIDORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2010-01-06 EP disclosed
WO-2008116831-A1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DIDORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2008-10-02 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-20110009380-A1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR HTR2C, HTR3B, HTR1B HTR6 6/4885HTR2A 5/4885HTR2B 4/4885

“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.