SCHEMBL7525864

SCHEMBL7525864

CC(O)N(OCC[N+](C)(C)C)C(C)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.38
CHRM3 P20309 7/20 0.38
CHRM5 P08912 6/20 0.38
CHRM2 P08172 6/20 0.38
CHRM4 P08173 6/20 0.38
CHRNB2 P17787 4/20 0.38
CHRNA4 P43681 4/20 0.38
CHRNA7 P36544 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTR1A P08908 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA1A P35348 1/20 0.37
PGR P06401 1/20 0.37
TBXA2R P21731 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA10 Q9GZZ6 1/20 0.37
CHRNA9 Q9UGM1 1/20 0.37
CYP2C19 P33261 2/20 0.35
LMNA P02545 2/20 0.35

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
SCHEMBL8961801 0.73 ALDH1A1 (0.38) TSHRMAPK1ALDH1A1
SCHEMBL8211611 0.73 CHRM1 (0.38) CHRM1CHRM3CHRM5CHRM2CHRM4
SCHEMBL28761585 0.69 SCN1A (0.42) CHRM1CHRM3CHRM5CHRM2CHRM4
SCHEMBL15536281 0.65 MEN1 (0.34)
SCHEMBL24292362 0.65 SCN1A (0.39) CHRM1CHRM3CHRM5CHRM2CHRM4
SCHEMBL28965480 0.65 SCN1A (0.39) CHRM1CHRM3CHRM5CHRM2CHRM4
Hydrochloric Acid SCHEMBL28469489 0.64 CYP3A4 (0.46) CHRM1CHRM3CHRM5CHRM2CHRM4
Hydrochloric Acid SCHEMBL28126462 0.64 CHRM5 (0.40) CHRM1CHRM3CHRM5CHRM2CHRM4
SCHEMBL3780770 0.64 CHRM1 (0.58) CHRM1CHRM3CHRM5CHRM2CHRM4
Water SCHEMBL12506247 0.62 CHRM1 (0.56) CHRM1CHRM3CHRM5CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11007199-B2 Compositions and methods for ameliorating pain and reducing fever THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2021-05-18 US disclosed
US-20200230087-A1 COMPOSITIONS AND METHODS FOR AMELIORATING PAIN AND REDUCING FEVER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-07-23 US disclosed
WO-2012107532-A1 4-AMINOALCOHOLQUINOLINE DERIVATIVES, ENANTIOSELECTIVE SYNTHESIS METHODS AND THE USE THEREOF Université de Picardie Jules Verne (FR) 2012-08-16 WO disclosed
CN-1214790-C Medicinal composition for treating inflammation SEARLE & CO (US) 2005-08-17 CN disclosed
CN-1442139-A Medicinal composition for treating inflammation SEARLE & CO (US) 2003-09-17 CN disclosed
CN-1107058-C Substituted isoxazoles for the treatment of disorders SEARLE & CO (US) 2003-04-30 CN disclosed
US-20020115657-A1 Substituted hetero-polycyclic compounds as PPARalpha and PPARgamma JEPPESEN LONE (DK) 2002-08-22 US disclosed
US-5849773-A Amino acyl amino propargyl diol compounds for treatment of hypertension G. D. SEARLE & CO. (US) 1998-12-15 US disclosed
CN-1181075-A Substituted isoxazoles for the treatment of disorders SEARLE & CO (US) 1998-05-06 CN disclosed
US-5411950-A Benzo-fused oxazocinyl terminated alkylamino ethynyl alanine amino diol compounds for treatment of hypertension G. D. SEARLE & CO. (US) 1995-05-02 US disclosed
US-4282246-A Antidiabetic furancarboxylic and thiphenecarboxylic acids PFIZER INC. (US) 1981-08-04 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 (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-20020115657-A1 Substituted hetero-polycyclic compounds as PPARalpha and PPARgamma PPARG, PPARA, PPARD CHRM1 1192/4885CHRM3 1894/4885CHRM5 3241/4885
US-20200230087-A1 COMPOSITIONS AND METHODS FOR AMELIORATING PAIN AND REDUCING FEVER MPO, ACHE, CAT CHRM1 4364/4885CHRM3 2036/4885CHRM5 2909/4885
US-11007199-B2 Compositions and methods for ameliorating pain and reducing fever MPO, ACHE, CAT CHRM1 4364/4885CHRM3 2036/4885CHRM5 2909/4885

“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.