SCHEMBL16799896

SCHEMBL16799896

COC(=O)C(C)NC(=O)c1cccc(C#CCCCC(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.40
ITGB1 P05556 2/20 0.40
ITGA4 P13612 2/20 0.40
PDE5A O76074 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.40
GPR139 Q6DWJ6 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LNPEP Q9UIQ6 1/20 0.39
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL16799894 1.00 ACACB (0.40) ACACBITGB1ITGA4PDE5ANPC1
SCHEMBL16799931 0.96 POLB (0.42) ACACBITGB1ITGA4PDE5ANPC1
SCHEMBL16799929 0.96 POLB (0.42) ACACBITGB1ITGA4PDE5ANPC1
SCHEMBL16802548 0.91 ACACB (0.42) ACACBITGB1ITGA4PDE5ANPC1
SCHEMBL20810488 0.91 ACACB (0.42) ACACBITGB1ITGA4PDE5ANPC1
SCHEMBL16799996 0.89 NPSR1 (0.39) ACACBITGB1ITGA4PDE5ANPC1
SCHEMBL16799995 0.89 NPSR1 (0.39) ACACBITGB1ITGA4PDE5ANPC1
SCHEMBL16800055 0.89 NPSR1 (0.39) ACACBITGB1ITGA4PDE5ANPC1
SCHEMBL16799665 0.88 MAOB (0.43) ACACBPDE5ANPC1RAB9AHPGD
SCHEMBL20810355 0.88 ACACB (0.41) ACACBPDE5ANPC1RAB9AHPGD

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
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-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
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-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 ACACB 3843/4885ITGB1 4315/4885ITGA4 3038/4885
US-20160304441-A1 BENZAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERS AND PAIN AND FOR CONTROLLING SPASTICITY AND TREMORS MUSK, MYLK2, CBR3 ACACB 1863/4885ITGB1 3119/4885ITGA4 1478/4885

“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.