SCHEMBL18797643

SCHEMBL18797643

CC(C)(N)c1nc(-c2ccc(OC(F)(F)F)cc2)c[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 6/20 0.56
KCNH2 Q12809 5/20 0.56
SCN5A Q14524 5/20 0.56
SCN1A P35498 1/20 0.56
SCN9A Q15858 1/20 0.56
SCN2A Q99250 1/20 0.56
SCN8A Q9UQD0 1/20 0.56
F2RL3 Q96RI0 1/20 0.41
CCNT1 O60563 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41
CYP1A2 P05177 1/20 0.40
ACP1 P24666 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ALOX5 P09917 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 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
SCHEMBL17518813 0.79 SCN5A (0.47) SCN10AKCNH2SCN5ASCN1ASCN9A
SCHEMBL1859703 0.79 XDH (0.47) SCN10AKCNH2SCN5ASCN1ASCN9A
SCHEMBL1928313 0.77 AKT1 (0.40) ADORA3KDM4EMAPTNPC1ALDH1A1
SCHEMBL19558100 0.75 SCN5A (0.41) SCN10AKCNH2SCN5ASCN1ASCN9A
SCHEMBL3401143 0.74 CCNT1 (0.43) SCN10AKCNH2SCN5ASCN1ASCN9A
SCHEMBL9080400 0.73 KDM4E (0.49) KDM4EGAAMAPTNPC1ALDH1A1
SCHEMBL26096161 0.72 GRK6 (0.39) SCN10ASCN5ASCN9AF2RL3CCNT1
SCHEMBL15244713 0.71 KDM1A (0.49) F2RL3CCNT1CCNA2CDK2CDK9
SCHEMBL26464281 0.71 TRPV1 (0.41) SCN10AKCNH2SCN5ASCN1ASCN9A
SCHEMBL26464150 0.71 ALOX5 (0.50) SCN5ACCNT1CCNA2CDK2CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240398762-A1 PHARMACEUTICAL COMPOSITION WITH ANALGESIC AND/OR ANTIPRURITIC FUNCTIONS AND APPLICATION THEREOF KEVICI (SHANGHAI) PHARMACEUTICAL CO., LTD. (CN) 2024-12-05 US disclosed
EP-4464319-A1 PHARMACEUTICAL COMPOSITION HAVING ANALGESIC AND/OR ANTIPRURITIC FUNCTION AND USE THEREOF Pengekiphen Biotech Limited Company (CN) 2024-11-20 EP disclosed
WO-2023155837-A1 PHARMACEUTICAL COMPOSITION HAVING ANALGESIC AND/OR ANTIPRURITIC FUNCTION AND USE THEREOF 昆山彭济凯丰生物科技有限公司 2023-08-24 WO disclosed
US-11221329-B2 Treatment of neurological and neurodevelopmental diseases and disorders associated with aberrant ion channel expression and activity LIEBER INSTITUTE, INC. (US) 2022-01-11 US disclosed
US-11221329-B2 Treatment of neurological and neurodevelopmental diseases and disorders associated with aberrant ion channel expression and activity LIEBER INSTITUTE, INC. (US) 2022-01-11 US disclosed
US-20180328915-A1 Treatment of Neurological and Neurodevelopmental Diseases and Disorders Associated with Aberrant Ion Channel Expression and Activity NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-11-15 US disclosed
WO-2017075222-A1 TREATMENT OF NEUROLOGICAL AND NEURODEVELOPMENTAL DISEASES AND DISORDERS ASSOCIATED WITH ABERRANT ION CHANNEL EXPRESSION AND ACTIVITY LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2017-05-04 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-11221329-B2 Treatment of neurological and neurodevelopmental diseases and disorders associated with aberrant ion channel expression and activity KCNQ1, KCNQ2, KCNQ3 SCN10A 11/4885KCNH2 72/4885SCN5A 48/4885
US-20240398762-A1 PHARMACEUTICAL COMPOSITION WITH ANALGESIC AND/OR ANTIPRURITIC FUNCTIONS AND APPLICATION THEREOF SCN7A, SCN8A, SCNN1G SCN10A 7/4885KCNH2 65/4885SCN5A 9/4885
US-20180328915-A1 Treatment of Neurological and Neurodevelopmental Diseases and Disorders Associated with Aberrant Ion Channel Expression and Activity KCNQ1, KCNQ2, KCNQ3 SCN10A 11/4885KCNH2 72/4885SCN5A 48/4885

“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.