SCHEMBL788069

SCHEMBL788069

[CH2]C(C)(C)NC(=O)C(N)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.44
DPP8 Q6V1X1 2/20 0.44
DPP9 Q86TI2 2/20 0.44
DPP7 Q9UHL4 2/20 0.44
FAP Q12884 1/20 0.44
SLC7A5 Q01650 1/20 0.41
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
LAP3 P28838 1/20 0.30

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
SCHEMBL10451323 0.82 DPP4 (0.47) DPP4DPP8DPP9DPP7FAP
SCHEMBL23975825 0.82 DPP4 (0.47) DPP4DPP8DPP9DPP7FAP
SCHEMBL355353 0.82 DPP4 (0.47) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL356236 0.80 DPP4 (0.45) DPP4DPP8DPP9DPP7FAP
SCHEMBL3162091 0.78 DPP4 (0.44) DPP4DPP8DPP9DPP7FAP
SCHEMBL27510202 0.78 DPP4 (0.44) DPP4DPP8DPP9DPP7FAP
SCHEMBL1233264 0.77 POLB (0.33)
SCHEMBL3206175 0.74 SLC7A5 (0.41) DPP4DPP8DPP9DPP7FAP
SCHEMBL3206179 0.74 SLC7A5 (0.41) DPP4DPP8DPP9DPP7FAP
SCHEMBL8698296 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150148394-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR TREATING SKIN DISEASES AND CONDITIONS ALLERGAN INC (US) 2015-05-28 US claimed
EP-3636263-B1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL ALLERGAN INC (US) 2021-11-03 EP disclosed
CN-105412092-B Ester prodrugs of [3- (1- (1H-imidazol-4-yl) ethyl) -2-methylphenyl ] methanol for lowering intraocular pressure 阿勒根公司 2020-11-17 CN disclosed
EP-3698789-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 2020-08-26 EP disclosed
EP-3659600-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR TREATING RETINAL DISEASES ALLERGAN, INC. (US) 2020-06-03 EP disclosed
EP-3636263-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL ALLERGAN, INC. (US) 2020-04-15 EP disclosed
EP-3338777-B1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR TREATING RETINAL DISEASES ALLERGAN INC (US) 2020-02-05 EP disclosed
EP-3050564-B1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL ALLERGAN INC (US) 2019-09-04 EP disclosed
EP-3078376-B1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR TREATING RETINAL DISEASES ALLERGAN INC (US) 2019-03-27 EP disclosed
EP-3348264-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 2018-07-18 EP disclosed
US-8492557-B2 Ester pro-drugs of [3-(1-(1H-imidazol-4-yl)ethyl)-2-methylphenyl] methanol ALLERGAN, INC. (US) 2013-07-23 US disclosed
US-8492422-B2 Ester pro-drugs of [3-(1-(1H-imidazol-4-yl)ethyl)-2-methylphenyl] methanol for treating skin diseases and conditions ALLERGAN, INC. (US) 2013-07-23 US disclosed
US-20120149746-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR TREATING RETINAL DISEASES ALLERGAN, INC. (US) 2012-06-14 US disclosed
US-20120142746-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 2012-06-07 US disclosed
US-20120136036-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR TREATING SKIN DISEASES AND CONDITIONS ALLERGAN, INC. (US) 2012-05-31 US disclosed
US-20120122945-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL ALLERGAN, INC. (US) 2012-05-17 US disclosed
WO-2012037453-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR TREATING RETINAL DISEASES ALLERGAN, INC. (US) 2012-03-22 WO disclosed
WO-2012037490-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 2012-03-22 WO disclosed
WO-2012037499-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL ALLERGAN, INC. (US) 2012-03-22 WO disclosed
WO-2012037484-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR TREATING SKIN DISEASES AND CONDITIONS ALLERGAN, INC. (US) 2012-03-22 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 (5 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-20120142746-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR LOWERING INTRAOCULAR PRESSURE REN, CYP11B2, PDE3A DPP4 246/4885DPP8 448/4885DPP9 269/4885
US-20120136036-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR TREATING SKIN DISEASES AND CONDITIONS TYR, EBP, CUTA DPP4 548/4885DPP8 1328/4885DPP9 855/4885
US-20150148394-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR TREATING SKIN DISEASES AND CONDITIONS TYR, EBP, CUTA DPP4 548/4885DPP8 1328/4885DPP9 855/4885
US-20120149746-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR TREATING RETINAL DISEASES PDE6D, ALDH1A2, PDE6A DPP4 167/4885DPP8 733/4885DPP9 361/4885
US-20120122945-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL ADRB3, ADRB1, ADRB2 DPP4 372/4885DPP8 737/4885DPP9 805/4885

“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.