SCHEMBL9902847

SCHEMBL9902847

CCOCC(C)NC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 4/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PIN1 Q13526 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
ALOX15 P16050 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
SCHEMBL18496308 1.00 MTNR1A (0.37) MTNR1AMTNR1BMGAMGAASI
SCHEMBL24496938 0.83 MTNR1A (0.49) MTNR1AMTNR1BALDH1A1
SCHEMBL27996890 0.83 MTNR1A (0.37) MTNR1AMTNR1BALDH1A1CYP2D6CYP2C19
SCHEMBL27996895 0.81 MTNR1A (0.36) MTNR1AMTNR1BCYP2D6CYP2C19
SCHEMBL25098432 0.81 ACACB (0.41) MTNR1AMTNR1BTSHRMMP1MMP2
SCHEMBL23924823 0.79 TSHR (0.36) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL22405819 0.79 MTNR1A (0.35) MTNR1AMTNR1BTSHRALDH1A1CYP2D6
SCHEMBL23924825 0.79 TSHR (0.36) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL21813434 0.79 MTNR1A (0.35) MTNR1AMTNR1BCYP2D6CYP2C19
SCHEMBL22405575 0.79 MTNR1A (0.35) MTNR1AMTNR1BTSHRALDH1A1CYP2D6

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-11981657-B2 Substituted benzimidazoles, their preparation and their use as pharmaceuticals EPIGENETIX, INC. (US) 2024-05-14 US disclosed
US-20230120413-A1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS NEOMED INSTITUTE (CA) 2023-04-20 US disclosed
US-11365186-B2 Substituted benzimidazoles, their preparation and their use as pharmaceuticals EPIGENETIX, INC. (US) 2022-06-21 US disclosed
EP-3334719-B1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS NEOMED INST (CA) 2021-09-15 EP disclosed
US-20210107893-A1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS EPIGENETIX, INC. 2021-04-15 US disclosed
US-10703740-B2 Substituted benzimidazoles, their preparation and their use as pharmaceuticals NEOMED INSTITUTE (CA) 2020-07-07 US disclosed
US-20180237417-A1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS EPIGENETIX, INC. 2018-08-23 US disclosed
EP-3334719-A1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Neomed Institute (CA) 2018-06-20 EP disclosed
WO-2017024412-A1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS NEOMED INSTITUTE (CA) 2017-02-16 WO disclosed
EP-2648511-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF Lycera Corporation (US) 2013-10-16 EP disclosed
WO-2012078874-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2012-06-14 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 (6 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-11365186-B2 Substituted benzimidazoles, their preparation and their use as pharmaceuticals BRD3, BRDT, BRD4 MTNR1A 4371/4885MTNR1B 4185/4885MGAM 1248/4885
US-20230120413-A1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS BRD3, BRDT, BRD4 MTNR1A 4371/4885MTNR1B 4185/4885MGAM 1248/4885
US-10703740-B2 Substituted benzimidazoles, their preparation and their use as pharmaceuticals BRD3, BRDT, BRD4 MTNR1A 4371/4885MTNR1B 4185/4885MGAM 1248/4885
US-11981657-B2 Substituted benzimidazoles, their preparation and their use as pharmaceuticals BRD3, BRDT, BRD4 MTNR1A 4371/4885MTNR1B 4185/4885MGAM 1248/4885
US-20210107893-A1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS BRD3, BRDT, BRD4 MTNR1A 4371/4885MTNR1B 4185/4885MGAM 1248/4885
US-20180237417-A1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS BRD3, BRDT, BRD4 MTNR1A 4371/4885MTNR1B 4185/4885MGAM 1248/4885

“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.