SCHEMBL21354597

SCHEMBL21354597

CC(C)(C)CC(=O)Nc1nc2ccc(C#N)cc2n1C1(C)CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 4/20 0.38
IDH1 O75874 3/20 0.37
OPRK1 P41145 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
ALK Q9UM73 1/20 0.35
ACSS2 Q9NR19 1/20 0.35
CETP P11597 1/20 0.35
ADORA2A P29274 1/20 0.34
KCNQ2 O43526 1/20 0.34
ITK Q08881 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
DYRK1A Q13627 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL30315382 1.00 TRPV4 (0.38) TRPV4IDH1OPRK1OPRM1OPRD1
SCHEMBL30315570 0.91 IDH1 (0.37) TRPV4IDH1OPRK1OPRM1OPRD1
SCHEMBL21354579 0.91 IDH1 (0.37) TRPV4IDH1OPRK1OPRM1OPRD1
SCHEMBL21354568 0.90 TRPV4 (0.38) TRPV4IDH1OPRK1OPRM1OPRD1
SCHEMBL30315749 0.90 TRPV4 (0.38) TRPV4IDH1OPRK1OPRM1OPRD1
SCHEMBL17582795 0.88 ACSS2 (0.43) TRPV4IDH1OPRK1OPRM1OPRD1
SCHEMBL18791685 0.88 IDH1 (0.36) TRPV4IDH1OPRK1OPRM1OPRD1
SCHEMBL17582799 0.88 ACSS2 (0.43) TRPV4IDH1OPRK1OPRM1OPRD1
SCHEMBL17583047 0.88 ACSS2 (0.43) TRPV4IDH1OPRK1OPRM1OPRD1
SCHEMBL30659135 0.88 ACSS2 (0.43) TRPV4IDH1OPRK1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240002349-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE BIOHAVEN THERAPEUTICS LTD (US) 2024-01-04 US disclosed
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-20230000831-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE CHANNEL BIOSCIENCES, LLC 2023-01-05 US disclosed
US-11261162-B2 KV7 channel activators compositions and methods of use KNOPP BIOSCIENCES, LLC (US) 2022-03-01 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-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-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-20190284142-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE CHANNEL BIOSCIENCES, LLC 2019-09-19 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-11261162-B2 KV7 channel activators compositions and methods of use KCNA7, KCNK17, KCNAB1 TRPV4 97/4885IDH1 2551/4885OPRK1 230/4885
US-20190284142-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KCNA7, KCNK17, KCNAB1 TRPV4 97/4885IDH1 2551/4885OPRK1 230/4885
US-11724990-B2 Kv7 channel activators compositions and methods of use KCNA7, KCNK17, KCNAB1 TRPV4 97/4885IDH1 2551/4885OPRK1 230/4885
US-20230000831-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KCNA7, KCNK17, KCNAB1 TRPV4 97/4885IDH1 2551/4885OPRK1 230/4885
US-10851067-B2 Kv7 channel activators compositions and methods of use KCNA7, KCNK17, KCNAB1 TRPV4 97/4885IDH1 2551/4885OPRK1 230/4885
US-20210130299-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KCNA7, KCNK17, KCNAB1 TRPV4 97/4885IDH1 2551/4885OPRK1 230/4885
US-20240002349-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KCNA7, KCNK17, KCNAB1 TRPV4 97/4885IDH1 2551/4885OPRK1 230/4885

“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.