5-(N-Methyl-N-Isobutyl)Amiloride

5-(N-Methyl-N-Isobutyl)Amiloride

SCHEMBL2432777

CC(C)CN(C)c1nc(N)c(C(=O)NC(=N)N)nc1Cl

nearest known ligand 0.64

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.64
TSHR P16473 3/20 0.64
SLC9A1 P19634 3/20 0.64
CYP2D6 P10635 3/20 0.64
THPO P40225 3/20 0.64
GMNN O75496 3/20 0.64
PMP22 Q01453 3/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
TP53 P04637 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
BLM P54132 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64
CYP2C19 P33261 1/20 0.64
SLC9A5 Q14940 5/20 0.45
PLAU P00749 2/20 0.44
FTO Q9C0B1 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
OPRM1 P35372 1/20 0.41

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
5-(N-Methyl-N-Isobutyl)Amiloride SCHEMBL2431320 0.87 TSHR (0.50) CYP1A2TSHRSLC9A1CYP2D6THPO
SCHEMBL9927473 0.83 CYP1A2 (0.58) CYP1A2TSHRSLC9A1CYP2D6THPO
Hydrochloric Acid SCHEMBL29368671 0.82 MAPT (0.59) CYP1A2TSHRSLC9A1CYP2D6THPO
Hydrochloric Acid SCHEMBL9464011 0.82 MAPT (0.59) CYP1A2TSHRSLC9A1CYP2D6THPO
SCHEMBL2431417 0.81 CYP1A2 (0.67) CYP1A2TSHRSLC9A1CYP2D6THPO
5-(N-Ethyl-N-Isopropyl)Amiloride SCHEMBL23663987 0.81 CYP1A2 (0.64) CYP1A2TSHRSLC9A1CYP2D6THPO
5-(N-Ethyl-N-Isopropyl)Amiloride SCHEMBL29375391 0.81 CYP1A2 (0.64) CYP1A2TSHRSLC9A1CYP2D6THPO
SCHEMBL2432734 0.81 CYP1A2 (0.70) CYP1A2TSHRSLC9A1CYP2D6THPO
SCHEMBL11477587 0.80 CYP1A2 (0.45) CYP1A2TSHRSLC9A1CYP2D6THPO
SCHEMBL2437669 0.78 TP53 (0.57) CYP1A2TSHRSLC9A1CYP2D6THPO

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-20110217265-A1 Screening for Inhibitors of HCV Amphipathic Helix (AH) Function NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-08 US claimed
WO-2010039195-A2 SCREENING FOR INHIBITORS OF HCV AMPHIPATHIC HELIX (AH) FUNCTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-04-08 WO claimed
WO-2024042160-A1 USE OF A THERAPEUTIC AGENT WITH SODIUM-HYDROGEN ANTIPORTER 1 INHIBITORY ACTIVITY FOR THE TREATMENT AND PREVENTION OF DISEASES ASSOCIATED WITH CHRONIC FATIGUE, EXHAUSTION AND/OR EXERTIONAL INTOLERANCE MITODICURE GMBH (DE) 2024-02-29 WO disclosed
US-20120148604-A1 TRP INHIBITORS AND USES THEREOF TRANSPOSAGEN BIOPHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120148604-A1 TRP INHIBITORS AND USES THEREOF TRANSPOSAGEN BIOPHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20110217265-A1 Screening for Inhibitors of HCV Amphipathic Helix (AH) Function NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-08 US disclosed
WO-2010039195-A2 SCREENING FOR INHIBITORS OF HCV AMPHIPATHIC HELIX (AH) FUNCTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-04-08 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 (2 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-20120148604-A1 TRP INHIBITORS AND USES THEREOF TRPC4, TRPC1, TRPC3 CYP1A2 4862/4885TSHR 3217/4885SLC9A1 2183/4885
US-20110217265-A1 Screening for Inhibitors of HCV Amphipathic Helix (AH) Function NSF, HAVCR2, ABHD16A CYP1A2 3437/4885TSHR 3280/4885SLC9A1 3272/4885

“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.