SCHEMBL16799690

SCHEMBL16799690

COC(=O)CCNC(=O)c1cccc(C#CCCCC(=O)N(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.41
DRD2 P14416 3/20 0.40
DRD4 P21917 3/20 0.40
DRD3 P35462 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
PRSS1 P07477 1/20 0.39
CTSG P08311 1/20 0.39
CTRB1 P17538 1/20 0.39
CMA1 P23946 1/20 0.39
GAA P10253 2/20 0.38
ALOX5 P09917 2/20 0.38
EPHX2 P34913 2/20 0.38
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL16800036 0.91 MAPK1 (0.45) ACACBDRD2DRD4DRD3SMN1; SMN2
SCHEMBL17977245 0.89 LMNA (0.42) ACACBDRD2DRD4DRD3SMN1; SMN2
SCHEMBL17049464 0.88 L3MBTL1 (0.48) ACACBSMN1; SMN2MAPTGAAALOX5
SCHEMBL2763421 0.87 SMN1; SMN2 (0.40) ACACBDRD2DRD4DRD3SMN1; SMN2
SCHEMBL20810370 0.87 MAPK1 (0.43) ACACBDRD2DRD4DRD3MAPT
SCHEMBL20810461 0.86 ACACB (0.42) ACACBDRD2DRD4DRD3SMN1; SMN2
SCHEMBL20810324 0.84 MAPK1 (0.46) ACACBSMN1; SMN2GAAALOX5EPHX2
SCHEMBL16799666 0.83 ALDH1A1 (0.43) ACACBSMN1; SMN2MAPT
SCHEMBL20810387 0.83 SMN1; SMN2 (0.39) ACACBDRD2DRD4DRD3SMN1; SMN2
SCHEMBL5157783 0.82 ACACB (0.43) ACACBGAAALOX5EPHX2

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 17 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
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 3843/4885DRD2 849/4885DRD4 1138/4885
US-20160304441-A1 BENZAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERS AND PAIN AND FOR CONTROLLING SPASTICITY AND TREMORS MUSK, MYLK2, CBR3 ACACB 1863/4885DRD2 674/4885DRD4 742/4885

“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.