SCHEMBL16799682

SCHEMBL16799682

COC(=O)[C@H](CO)NC(=O)c1cccc(C#CCCCC(=O)N(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
GPR139 Q6DWJ6 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
TAS1R3 Q7RTX0 6/20 0.37
TAS1R1 Q7RTX1 6/20 0.37
PIN1 Q13526 2/20 0.37
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
ACACB O00763 3/20 0.36
HPGD P15428 1/20 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
SCHEMBL16799681 1.00 ALDH1A1 (0.41) ALDH1A1GPR139ITGB1ITGA4TAS1R3
SCHEMBL16800001 1.00 ALDH1A1 (0.41) ALDH1A1GPR139ITGB1ITGA4TAS1R3
SCHEMBL20810498 0.93 ACACB (0.39) ALDH1A1GPR139ITGB1ITGA4PIN1
SCHEMBL20810349 0.91 ALDH1A1 (0.39) ALDH1A1ITGB1ITGA4TAS1R3TAS1R1
SCHEMBL17977249 0.90 PIN1 (0.44) ALDH1A1GPR139ITGB1ITGA4PIN1
SCHEMBL16800045 0.90 ALDH1A1 (0.55) ALDH1A1GPR139ITGB1ITGA4GAA
SCHEMBL16800004 0.90 ALDH1A1 (0.55) ALDH1A1GPR139ITGB1ITGA4GAA
SCHEMBL16799941 0.90 ALDH1A1 (0.55) ALDH1A1GPR139ITGB1ITGA4GAA
SCHEMBL16799995 0.89 NPSR1 (0.39) ALDH1A1ITGB1ITGA4RAB9AACACB
SCHEMBL16800055 0.89 NPSR1 (0.39) ALDH1A1ITGB1ITGA4RAB9AACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3077369-B1 BENZAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERS AND PAIN AND FOR CONTROLLING SPASTICITY AND TREMORS UCL BUSINESS PLC (GB) 2019-03-13 EP disclosed
EP-3077369-B1 BENZAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERS AND PAIN AND FOR CONTROLLING SPASTICITY AND TREMORS UCL BUSINESS PLC (GB) 2019-03-13 EP disclosed
US-20180116983-A1 COMPOUNDS FOR TREATING DISORDERS ASSOCIATED WITH BK CHANNEL MODULATION CANBEX THERAPEUTICS LIMITED (GB) 2018-05-03 US disclosed
US-20180116983-A1 COMPOUNDS FOR TREATING DISORDERS ASSOCIATED WITH BK CHANNEL MODULATION CANBEX THERAPEUTICS LIMITED (GB) 2018-05-03 US disclosed
US-20180116983-A1 COMPOUNDS FOR TREATING DISORDERS ASSOCIATED WITH BK CHANNEL MODULATION CANBEX THERAPEUTICS LIMITED (GB) 2018-05-03 US disclosed
US-9908843-B2 Benzamide derivatives useful in the treatment of muscular disorders and pain and for controlling spasticity and tremors CANBEX THERAPEUTICS LIMITED (GB) 2018-03-06 US disclosed
US-9908843-B2 Benzamide derivatives useful in the treatment of muscular disorders and pain and for controlling spasticity and tremors CANBEX THERAPEUTICS LIMITED (GB) 2018-03-06 US disclosed
US-9908843-B2 Benzamide derivatives useful in the treatment of muscular disorders and pain and for controlling spasticity and tremors CANBEX THERAPEUTICS LIMITED (GB) 2018-03-06 US disclosed
EP-3256112-A1 COMPOUNDS FOR TREATING DISORDERS ASSOCIATED WITH BK CHANNEL MODULATION Canbex Therapeutics Limited (GB) 2017-12-20 EP disclosed
US-20160304441-A1 BENZAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERS AND PAIN AND FOR CONTROLLING SPASTICITY AND TREMORS UCL BUSINESS PLC (GB) 2016-10-20 US disclosed
US-20160304441-A1 BENZAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERS AND PAIN AND FOR CONTROLLING SPASTICITY AND TREMORS UCL BUSINESS PLC (GB) 2016-10-20 US disclosed
US-20160304441-A1 BENZAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERS AND PAIN AND FOR CONTROLLING SPASTICITY AND TREMORS UCL BUSINESS PLC (GB) 2016-10-20 US disclosed
EP-3077369-A1 BENZAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERSAND PAIN AND FOR CONTROLLING SPASTICITY AND TREMORS Canbex Therapeutics Limited (GB) 2016-10-12 EP disclosed
WO-2016128771-A1 COMPOUNDS FOR TREATING DISORDERS ASSOCIATED WITH BK CHANNEL MODULATION CANBEX THERAPEUTICS LIMITED (GB) 2016-08-18 WO disclosed
WO-2016128771-A1 COMPOUNDS FOR TREATING DISORDERS ASSOCIATED WITH BK CHANNEL MODULATION CANBEX THERAPEUTICS LIMITED (GB) 2016-08-18 WO disclosed
WO-2015082938-A1 BENZAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERSAND PAIN AND FOR CONTROLLING SPASTICITY AND TREMORS CANBEX THERAPEUTICS LIMITED (GB) 2015-06-11 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 (2 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-20180116983-A1 COMPOUNDS FOR TREATING DISORDERS ASSOCIATED WITH BK CHANNEL MODULATION HCN4, KCNJ4, KCNQ4 ALDH1A1 3891/4885GPR139 361/4885ITGB1 4315/4885
US-20160304441-A1 BENZAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERS AND PAIN AND FOR CONTROLLING SPASTICITY AND TREMORS MUSK, MYLK2, CBR3 ALDH1A1 3265/4885GPR139 370/4885ITGB1 3119/4885

“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.