SCHEMBL2269116

SCHEMBL2269116

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.45
CHRM4 P08173 3/20 0.45
CHRM1 P11229 3/20 0.45
TSHR P16473 2/20 0.45
TBXA2R P21731 1/20 0.45
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GALR3 O60755 1/20 0.43
BLM P54132 1/20 0.43
SLC22A16 Q86VW1 1/20 0.41
LMNA P02545 3/20 0.39
CHRM5 P08912 2/20 0.39
CHRM3 P20309 2/20 0.39
CYP2C9 P11712 1/20 0.39
CPT2 P23786 1/20 0.34
CPT1A P50416 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
HRH1 P35367 1/20 0.34
KMT2A Q03164 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
SCHEMBL18305914 0.79 SLC22A16 (0.50) CHRM2CHRM4CHRM1TSHRTBXA2R
SCHEMBL52510 0.77 MAPT (0.46) CHRM2CHRM4CHRM1TSHRTBXA2R
Hydrochloric Acid SCHEMBL9486928 0.75 MAPT (0.50) CHRM2CHRM4CHRM1TSHRTBXA2R
Iodide SCHEMBL6748621 0.75 MAPT (0.44) CHRM2CHRM4CHRM1TSHRTBXA2R
SCHEMBL4059430 0.72
SCHEMBL16245141 0.72
SCHEMBL13158755 0.71 MAPT (0.39) CHRM2CHRM4CHRM1TSHRTBXA2R
SCHEMBL27770459 0.70 KISS1R (0.41)
Acetic Acid SCHEMBL28210362 0.70 MAPT (0.50) CHRM2CHRM4CHRM1TSHRTBXA2R
SCHEMBL9393610 0.69 MAPT (0.42) CHRM2CHRM4CHRM1TSHRTBXA2R

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 98 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023068819-A1 NOVEL STRAIN HAVING ANTAGONISM AGAINST PROTEUS MIRABILIS AND EXCELLENT EFFECT ON NEURODEGENERATIVE DISEASE, AND USE THEREOF 주식회사 메타센테라퓨틱스 2023-04-27 WO disclosed
US-10322209-B2 Polyurethanes for osteoimplants WARSAW ORTHOPEDIC, INC. (US) 2019-06-18 US disclosed
US-20180250442-A1 POLYURETHANES FOR OSTEOIMPLANTS WARSAW ORTHOPEDIC INC (US) 2018-09-06 US disclosed
EP-1434608-B1 IMPROVED BONE GRAFT WARSAW ORTHOPEDIC INC (US) 2018-08-22 EP disclosed
US-9993579-B2 Polyurethanes for osteoimplants WARSAW ORTHOPEDIC, INC. (US) 2018-06-12 US disclosed
US-20170304496-A1 POLYURETHANES FOR OSTEOIMPLANTS WARSAW ORTHOPEDIC INC (US) 2017-10-26 US disclosed
US-9789223-B2 Polyurethanes for osteoimplants WARSAW ORTHOPEDIC, INC. (US) 2017-10-17 US disclosed
US-20170240698-A1 Biodegradable Stealth Polymeric Particles Fabricated Using The Macromonomer Approach By Free Radical Dispersion Polymerization HOWARD UNIVERSITY (US) 2017-08-24 US disclosed
US-9675556-B2 Biodegradable stealth polymeric particles fabricated using the macromonomer approach by free radical dispersion polymerization HOWARD UNIVERSITY (US) 2017-06-13 US disclosed
EP-2295088-B1 Improved bone graft WARSAW ORTHOPEDIC INC (US) 2016-12-07 EP disclosed
WO-1996002276-A9 NOVEL POLYMER GEL NETWORKS AND METHODS OF USE 1996-02-29 WO disclosed
WO-1996002239-A2 ENHANCED LOADING OF SOLUTES INTO POLYMER GELS AND METHODS OF USE UNIVERSITY OF CINCINNATI (US) 1996-02-01 WO disclosed
WO-1996002276-A2 NOVEL POLYMER GEL NETWORKS AND METHODS OF USE GEL SCIENCES, INC. (US) 1996-02-01 WO disclosed
WO-1994029306-A1 COCAINE DERIVATIVES AND THEIR USE AS ANTICHOLINERGIC AGENTS NEW YORK UNIVERSITY (US) 1994-12-22 WO disclosed
EP-0584220-A1 ENGINEERING THE LOCAL INFLAMMATORY RESPONSE AS A MEANS OF CONTROLLED RELEASE DRUG DELIVERY ENDOCON, INC. (US) 1994-03-02 EP disclosed
WO-1993023012-A1 LIQUID-CONTAINING DRUG DELIVERY SYSTEM ENDOCON, INC. (US) 1993-11-25 WO disclosed
WO-1992020325-A1 ENGINEERING THE LOCAL INFLAMMATORY RESPONSE AS A MEANS OF CONTROLLED RELEASE DRUG DELIVERY ENDOCON, INC. (US) 1992-11-26 WO disclosed
EP-0178743-B1 NOVEL TRITIUM LABELLED N-MUSTARD TYPE COMPOUNDS AND A PROCESS FOR THEIR PRODUCTION UNIVERSITY OF PITTSBURGH (US) 1990-05-23 EP disclosed
US-4795627-A AZIRIDINIUM ANALOG USED TO EVALUATE THE MECHANISM OF NEUROTRANSMITTER REGULATION UNIVERSITY OF PITTSBURGH (US) 1989-01-03 US disclosed
EP-0178743-A2 Novel tritium labelled N-mustard type compounds and a process for their production UNIVERSITY OF PITTSBURGH (US) 1986-04-23 EP 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 (1 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-20170240698-A1 Biodegradable Stealth Polymeric Particles Fabricated Using The Macromonomer Approach By Free Radical Dispersion Polymerization LDHA, LDHB, ALDH2 CHRM2 2894/4885CHRM4 4483/4885CHRM1 3409/4885

“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.