SCHEMBL3099418

SCHEMBL3099418

CC(C)(C)CC(=O)Nc1ccc2c(c1Cl)CCN2Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 5/20 0.47
KCNQ3 O43525 2/20 0.47
KCNQ4 P56696 1/20 0.45
KCNQ5 Q9NR82 1/20 0.45
KDM1A O60341 1/20 0.41
ACHE P22303 1/20 0.40
ALOX5 P09917 2/20 0.39
EPHX2 P34913 1/20 0.39
KCNT1 Q5JUK3 1/20 0.39
MAPT P10636 2/20 0.39
HDAC1 Q13547 1/20 0.39
AKR1B10 O60218 1/20 0.38
AKR1B1 P15121 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CSNK1D P48730 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL30795959 1.00 KCNQ2 (0.47) KCNQ2KCNQ3KCNQ4KCNQ5KDM1A
SCHEMBL3098962 0.80 KCNQ2 (0.38) KCNQ2MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL30794875 0.80 KCNQ2 (0.38) KCNQ2MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL3110221 0.79 ALOX5 (0.61) KCNQ2KCNQ3KCNQ4KCNQ5ALOX5
SCHEMBL1761238 0.78 KCNQ2 (0.52) KCNQ2KCNQ3KCNQ4KCNQ5
SCHEMBL30794565 0.78 KCNQ2 (0.48) KCNQ2KCNQ3KCNQ4KCNQ5ALOX5
SCHEMBL30794362 0.78 KCNQ2 (0.46) KCNQ2KCNQ3KCNQ4KCNQ5ALOX5
SCHEMBL3104094 0.78 KCNQ2 (0.48) KCNQ2KCNQ3KCNQ4KCNQ5ALOX5
SCHEMBL3099402 0.78 KCNQ2 (0.46) KCNQ2KCNQ3KCNQ4KCNQ5ALOX5
SCHEMBL5802036 0.78 NOTUM (0.41) KCNQ2KCNQ3MAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256145-A1 USE OF KCNQ POTASSIUM CHANNEL OPENERS FOR REDUCING SYMPTOMS OF OR TREATING DISORDERS OR CONDITIONS WHEREIN THE DOPAMINERGIC SYSTEM IS DISRUPTED H. LUNDBECK A/S (DK) 2010-10-07 US claimed
EP-2185149-A1 USE OF KNCQ POTASSIUM CHANNEL OPENERS FOR REDUCING SYMPTOMS OF OR TREATING DISORDERS OR CONDITIONS WHEREIN THE DOPAMINERGIC SYSTEM IS DISRUPTED H. Lundbeck A/S (DK) 2010-05-19 EP claimed
WO-2009015667-A1 USE OF KNCQ POTASSIUM CHANNEL OPENERS FOR REDUCING SYMPTOMS OF OR TREATING DISORDERS OR CONDITIONS WHEREIN THE DOPAMINERGIC SYSTEM IS DISRUPTED H. LUNDBECK A/S (DK) 2009-02-05 WO claimed
US-20060264496-A1 Substituted indoline and indole derivatives H. LUNDBECK A/S (DK) 2006-11-23 US claimed
JP-2006524641-A 2006-11-02 JP claimed
EP-1631546-A1 SUSTITUTED INDOLINE AND INDOLE DERIVATIVES H. Lundbeck A/S (DK) 2006-03-08 EP claimed
WO-2004096767-A1 SUSTITUTED INDOLINE AND INDOLE DERIVATIVES H. LUNDBECK A/S (DK) 2004-11-11 WO claimed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed
EP-2554162-A1 Use of KCNQ-Openers for Treating or Reducing the Symptoms of Schizophrenia H. Lundbeck A/S (DK) 2013-02-06 EP disclosed
US-20100256145-A1 USE OF KCNQ POTASSIUM CHANNEL OPENERS FOR REDUCING SYMPTOMS OF OR TREATING DISORDERS OR CONDITIONS WHEREIN THE DOPAMINERGIC SYSTEM IS DISRUPTED H. LUNDBECK A/S (DK) 2010-10-07 US disclosed
EP-2185149-A1 USE OF KNCQ POTASSIUM CHANNEL OPENERS FOR REDUCING SYMPTOMS OF OR TREATING DISORDERS OR CONDITIONS WHEREIN THE DOPAMINERGIC SYSTEM IS DISRUPTED H. Lundbeck A/S (DK) 2010-05-19 EP disclosed
US-20090118285-A1 USE OF KCNQ-OPENERS FOR TREATING OR REDUCING THE SYMPTOMS OF SCHIZOPHRENIA H. LUNDBECK A/S (DK) 2009-05-07 US disclosed
CN-101378742-A Use of KCNQ-openers for treating or alleviating the symptoms of schizophrenia LUNDBECK & CO AS H (DK) 2009-03-04 CN disclosed
WO-2009015667-A1 USE OF KNCQ POTASSIUM CHANNEL OPENERS FOR REDUCING SYMPTOMS OF OR TREATING DISORDERS OR CONDITIONS WHEREIN THE DOPAMINERGIC SYSTEM IS DISRUPTED H. LUNDBECK A/S (DK) 2009-02-05 WO disclosed
EP-1983974-A1 USE OF KCNQ-OPENERS FOR TREATING OR REDUCING THE SYMPTOMS OF SCHIZOPHRENIA H. Lundbeck A/S (DK) 2008-10-29 EP disclosed
WO-2007090409-A1 USE OF KCNQ-OPENERS FOR THREATING OR REDUCING THE SYMPTOMS OF SCHIZOPHRENIA H. LUNDBECK A/S (DK) 2007-08-16 WO disclosed
US-20060264496-A1 Substituted indoline and indole derivatives H. LUNDBECK A/S (DK) 2006-11-23 US disclosed
EP-1631546-A1 SUSTITUTED INDOLINE AND INDOLE DERIVATIVES H. Lundbeck A/S (DK) 2006-03-08 EP disclosed
WO-2004096767-A1 SUSTITUTED INDOLINE AND INDOLE DERIVATIVES H. LUNDBECK A/S (DK) 2004-11-11 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 (3 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-20090118285-A1 USE OF KCNQ-OPENERS FOR TREATING OR REDUCING THE SYMPTOMS OF SCHIZOPHRENIA KCNQ4, KCNQ5, KCNQ1 KCNQ2 5/4885KCNQ3 4/4885KCNQ4 1/4885
US-20060264496-A1 Substituted indoline and indole derivatives IDO1, IDO2, INMT KCNQ2 1405/4885KCNQ3 1605/4885KCNQ4 2233/4885
US-20100256145-A1 USE OF KCNQ POTASSIUM CHANNEL OPENERS FOR REDUCING SYMPTOMS OF OR TREATING DISORDERS OR CONDITIONS WHEREIN THE DOPAMINERGIC SYSTEM IS DISRUPTED KCNQ2, KCNQ4, KCNQ1 KCNQ2 1/4885KCNQ3 4/4885KCNQ4 2/4885

“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.