SCHEMBL21404095

SCHEMBL21404095

CN(CC(=O)OC(=O)CCCCC(=O)OC(=O)CN(C)C(=N)N)C(=N)N

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
ALDH1A1 P00352 1/20 0.35
CA1 P00915 16/20 0.34
CA2 P00918 16/20 0.34
DNM1 Q05193 1/20 0.32
TSHR P16473 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL29175400 0.96 NOS3 (0.38) NOS3NOS1NOS2ALDH1A1CA1
SCHEMBL3813150 0.93 DNM1 (0.41) ALDH1A1DNM1TSHR
SCHEMBL941222 0.92 ALDH1A1 (0.38) NOS3NOS1NOS2ALDH1A1CA1
SCHEMBL3812312 0.92 DNM1 (0.44) ALDH1A1DNM1TSHR
SCHEMBL28344983 0.92 DNM1 (0.44) ALDH1A1DNM1TSHR
SCHEMBL3815930 0.92 DNM1 (0.44) ALDH1A1DNM1TSHR
SCHEMBL3812372 0.92 DNM1 (0.44) ALDH1A1DNM1TSHR
SCHEMBL3812373 0.92 DNM1 (0.44) ALDH1A1DNM1TSHR
SCHEMBL1884255 0.92 DNM1 (0.44) ALDH1A1DNM1TSHR
SCHEMBL27529876 0.91 DNM1 (0.43) ALDH1A1DNM1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230201115-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS THERMOLIFE INTERNATIONAL, LLC 2023-06-29 US disclosed
US-11633354-B2 Creatine and/or creatinine compositions and related methods THERMOLIFE INTERNATIONAL, LLC (US) 2023-04-25 US disclosed
US-20230062170-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS THERMOLIFE INTERNATIONAL, LLC 2023-03-02 US disclosed
US-11154499-B2 Creatine and/or creatinine compositions and related methods THERMOLIFE INTERNATIONAL, LLC (US) 2021-10-26 US disclosed
US-20210251895-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS THERMOLIFE INTERNATIONAL, LLC 2021-08-19 US disclosed
US-20200246262-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS THERMOLIFE INTERNATIONAL, LLC (US) 2020-08-06 US disclosed
WO-2019191338-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS THERMOLIFE INTERNATIONAL, LLC (US) 2019-10-03 WO disclosed
US-20190298667-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS THERMOLIFE INTERNATIONAL, LLC 2019-10-03 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-20200246262-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS MB, CKMT1A; CKMT1B, REN NOS3 3285/4885NOS1 2779/4885NOS2 2173/4885
US-11154499-B2 Creatine and/or creatinine compositions and related methods MB, CKMT1A; CKMT1B, REN NOS3 3285/4885NOS1 2779/4885NOS2 2173/4885
US-20190298667-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS CKMT1A; CKMT1B, REN, ALB NOS3 3810/4885NOS1 4018/4885NOS2 3880/4885
US-20230201115-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS CKMT1A; CKMT1B, REN, ALB NOS3 4094/4885NOS1 4060/4885NOS2 3835/4885
US-11633354-B2 Creatine and/or creatinine compositions and related methods MB, CKMT1A; CKMT1B, REN NOS3 3285/4885NOS1 2779/4885NOS2 2173/4885
US-20230062170-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS CKMT1A; CKMT1B, REN, ALB NOS3 3810/4885NOS1 4018/4885NOS2 3880/4885
US-20210251895-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS MB, CKMT1A; CKMT1B, REN NOS3 3285/4885NOS1 2779/4885NOS2 2173/4885

“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.