SCHEMBL19276263

SCHEMBL19276263

CC(C)(C)CC(=O)Nc1nc2ccc(C3(O)COC3)nc2n1C1CCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 4/20 0.35
KCNQ2 O43526 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPK1 P28482 1/20 0.31
MAPK8 P45983 2/20 0.31
MAPK9 P45984 2/20 0.31
MAPK10 P53779 2/20 0.31
MAPK14 Q16539 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
OGFRL1 Q5TC84 1/20 0.31
USP2 O75604 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4D Q08499 2/20 0.31

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
SCHEMBL18779173 0.82 ACSS2 (0.40) OPRM1OPRD1OPRK1OPRL1OGFRL1
SCHEMBL16084232 0.82 KCNQ2 (0.38) KCNQ3KCNQ2SMN1; SMN2HTTMAPT
SCHEMBL16084332 0.81 CDK9 (0.37) KCNQ3KCNQ2SMN1; SMN2HTTMAPT
SCHEMBL16084213 0.81 CYP11B2 (0.38) KCNQ3KCNQ2SMN1; SMN2HTTMAPT
SCHEMBL26008575 0.80 ALDH1A1 (0.35) KCNQ3KCNQ2SMN1; SMN2HTTMAPT
SCHEMBL19276061 0.80 SMN1; SMN2 (0.34) SMN1; SMN2HTTMAPTALDH1A1NPSR1
Hydrochloric Acid SCHEMBL17475975 0.80 CDK9 (0.36) KCNQ3KCNQ2SMN1; SMN2HTTMAPT
SCHEMBL16084170 0.80 CYP11B2 (0.39) KCNQ3KCNQ2OPRM1OPRD1OPRK1
SCHEMBL19276104 0.80 CA1 (0.34) KCNQ3KCNQ2SMN1; SMN2HTTMAPT
SCHEMBL24846146 0.80 MAPK8 (0.36) KCNQ3KCNQ2SMN1; SMN2MAPTALDH1A1

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
US-11724990-B2 Kv7 channel activators compositions and methods of use BIOHAVEN THERAPEUTICS LTD. (VG) 2023-08-15 US disclosed
US-11724990-B2 Kv7 channel activators compositions and methods of use BIOHAVEN THERAPEUTICS LTD. (VG) 2023-08-15 US disclosed
US-20230000831-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE CHANNEL BIOSCIENCES, LLC 2023-01-05 US disclosed
US-20210130299-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-05-06 US disclosed
US-10851067-B2 Kv7 channel activators compositions and methods of use KNOPP BIOSCIENCES LLC (US) 2020-12-01 US disclosed
US-20190284142-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE CHANNEL BIOSCIENCES, LLC 2019-09-19 US disclosed
US-20190002464-A1 IMIDAZO[4,5-B]PYRIDIN-2-YL AMIDES AS KV7 CHANNEL ACTIVATORS CHANNEL BIOSCIENCES, LLC 2019-01-03 US disclosed
US-20170240547-A1 IMIDAZO(4,5-B) PYRIDIN-2-YL AMIDES AS KV7 CHANNEL ACTIVATORS CHANNEL BIOSCIENCES, LLC 2017-08-24 US disclosed
US-20170240547-A1 IMIDAZO(4,5-B) PYRIDIN-2-YL AMIDES AS KV7 CHANNEL ACTIVATORS CHANNEL BIOSCIENCES, LLC 2017-08-24 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 (7 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-20190284142-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KCNA7, KCNK17, KCNAB1 KCNQ3 21/4885KCNQ2 10/4885SMN1; SMN2 286/4885
US-11724990-B2 Kv7 channel activators compositions and methods of use KCNA7, KCNK17, KCNAB1 KCNQ3 21/4885KCNQ2 10/4885SMN1; SMN2 286/4885
US-20230000831-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KCNA7, KCNK17, KCNAB1 KCNQ3 21/4885KCNQ2 10/4885SMN1; SMN2 286/4885
US-20190002464-A1 IMIDAZO[4,5-B]PYRIDIN-2-YL AMIDES AS KV7 CHANNEL ACTIVATORS KCNA7, KCNA2, KCNK17 KCNQ3 27/4885KCNQ2 8/4885SMN1; SMN2 1979/4885
US-20170240547-A1 IMIDAZO(4,5-B) PYRIDIN-2-YL AMIDES AS KV7 CHANNEL ACTIVATORS KCNA7, KCNA2, KCNK17 KCNQ3 25/4885KCNQ2 8/4885SMN1; SMN2 1993/4885
US-10851067-B2 Kv7 channel activators compositions and methods of use KCNA7, KCNK17, KCNAB1 KCNQ3 21/4885KCNQ2 10/4885SMN1; SMN2 286/4885
US-20210130299-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KCNA7, KCNK17, KCNAB1 KCNQ3 21/4885KCNQ2 10/4885SMN1; SMN2 286/4885

“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.