SCHEMBL3204532

SCHEMBL3204532

Clc1cccc2cc(I)cnc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.38
CCR1 P32246 2/20 0.38
CCR8 P51685 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
PDE10A Q9Y233 1/20 0.38
KDM4E B2RXH2 5/20 0.37
PSMD14 O00487 1/20 0.37
COPS5 Q92905 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NOS1 P29475 1/20 0.36
HAVCR2 Q8TDQ0 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
AHR P35869 1/20 0.34
CCR5 P51681 1/20 0.33
PARP1 P09874 1/20 0.33
SLC40A1 Q9NP59 1/20 0.33

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
SCHEMBL18739047 0.80 KDM4E (0.39) CCR1CCR8KDM4EPSMD14COPS5
SCHEMBL3558158 0.78 BACE1 (0.41) CCR1CCR8LMNAKDM4EPSMD14
SCHEMBL6422325 0.77 PSMD14 (0.62) NR4A2CCR1CCR8L3MBTL1KDM4E
SCHEMBL27418389 0.77 NR4A2 (0.38) NR4A2CCR1CCR8L3MBTL1LMNA
SCHEMBL4698412 0.77 PSMD14 (0.39) NR4A2CCR1CCR8L3MBTL1LMNA
SCHEMBL5558125 0.77 NR4A2 (0.38) NR4A2CCR1CCR8L3MBTL1LMNA
SCHEMBL3064498 0.77 NR4A2 (0.46) NR4A2CCR1CCR8L3MBTL1LMNA
SCHEMBL4698452 0.77 PSMD14 (0.44) NR4A2CCR1CCR8L3MBTL1LMNA
SCHEMBL22326654 0.77 CCR1 (0.36) CCR1CCR8L3MBTL1LMNAPDE10A
SCHEMBL1666214 0.77 TET2 (0.44) CCR1CCR8LMNAKDM4EPSMD14

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111072555-B Method for preparing heterocyclic sulfone organic compound 苏州大学 2021-08-27 CN disclosed
CN-111072555-A Method for preparing heterocyclic sulfone organic compound 苏州大学 2020-04-28 CN disclosed
US-9096527-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2015-08-04 US disclosed
US-9096527-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2015-08-04 US disclosed
US-20140235642-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-08-21 US disclosed
US-20140235642-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-08-21 US disclosed
US-8778941-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2014-07-15 US disclosed
US-8778941-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2014-07-15 US disclosed
US-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
US-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
US-20070249603-A1 3-Arylsulfonyl-Quinolines as 5-Ht6 Receptor Antagonists for the Treatment of Cns Disorders GLAXO GROUP LIMITED (GB) 2007-10-25 US disclosed
EP-1663981-B1 PIPERAZINYL-QUINOLINE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LTD (GB) 2007-07-18 EP disclosed
WO-2007039219-A1 QUINOLINE COMPOUNDS CAPABLE OF BINDING THE CB2 AND/OR THE 5-HT6 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-04-12 WO disclosed
EP-1756083-A1 3-ARYLSULFONYL-QUINOLINES AS 5-HT6 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2007-02-28 EP disclosed
US-20070027139-A1 Piperazinyl-quinoline derivatives useful for the treatment of cns disorders GLAXO GROUP LIMITED (GB) 2007-02-01 US disclosed
EP-1663981-A1 PIPERAZINYL-QUINOLINE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2006-06-07 EP disclosed
EP-1660483-A1 8-(1-PIPERAZINYL)-QUINOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2006-05-31 EP disclosed
WO-2005113539-A1 3-ARYLSULFONYL-QUINOLINES AS 5-HT6 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2005-12-01 WO disclosed
WO-2005030724-A1 PIPERAZINYL-QUINOLINE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2005-04-07 WO disclosed
WO-2005021530-A1 8- (1-PIPERAZINYL)- QUINOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2005-03-10 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 (4 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-20070027139-A1 Piperazinyl-quinoline derivatives useful for the treatment of cns disorders PMP22, AQP4, GRIN2A NR4A2 1617/4885CCR1 3056/4885CCR8 3108/4885
US-20140235642-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 NR4A2 2543/4885CCR1 3580/4885CCR8 589/4885
US-20070249603-A1 3-Arylsulfonyl-Quinolines as 5-Ht6 Receptor Antagonists for the Treatment of Cns Disorders HTR6, HTR3B, HTR1A NR4A2 1354/4885CCR1 1626/4885CCR8 2896/4885
US-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 NR4A2 2543/4885CCR1 3580/4885CCR8 589/4885

“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.