SCHEMBL16757166

SCHEMBL16757166

CCOC(=O)CCC1(C(=O)OC)CCCN1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
ARG1 P05089 1/20 0.35
ARG2 P78540 1/20 0.35
CYP2D6 P10635 5/20 0.35
SLC6A2 P23975 5/20 0.35
SLC6A4 P31645 5/20 0.35
SLC6A3 Q01959 5/20 0.35
KCNH2 Q12809 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 3/20 0.33
TSHR P16473 2/20 0.33
POLB P06746 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL8106291 0.86 CYP2D6 (0.33) ARG1ARG2CYP2D6SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL11652154 0.80 CYP2D6 (0.48) ARG1ARG2CYP2D6SLC6A2SLC6A4
SCHEMBL17393299 0.78 SLC6A4 (0.47) ARG1ARG2CYP2D6SLC6A2SLC6A4
SCHEMBL15012107 0.78 CYP4F2 (0.44) ARG1ARG2CYP2D6SLC6A2SLC6A4
SCHEMBL8123261 0.78 ARG1 (0.39) GAAARG1ARG2CYP2D6SLC6A2
SCHEMBL5928282 0.77 ARG1 (0.39) ARG1ARG2CYP2D6SLC6A2SLC6A4
SCHEMBL15567482 0.77 ARG1 (0.39) ARG1ARG2CYP2D6SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL17393298 0.77 CYP2D6 (0.46) ARG1ARG2CYP2D6SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL17393301 0.77 CYP2D6 (0.46) ARG1ARG2CYP2D6SLC6A2SLC6A4
SCHEMBL26694474 0.76 ARG1 (0.40) ARG1ARG2CYP2D6SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3074402-B1 BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME (US) 2019-01-16 EP disclosed
EP-3074402-B1 BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME (US) 2019-01-16 EP disclosed
US-9586968-B2 Bicycloamine-substituted-N-benzenesulfonamide compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-9586968-B2 Bicycloamine-substituted-N-benzenesulfonamide compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-9586968-B2 Bicycloamine-substituted-N-benzenesulfonamide compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-20170002008-A1 BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2017-01-05 US disclosed
US-20170002008-A1 BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2017-01-05 US disclosed
US-20170002008-A1 BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2017-01-05 US disclosed
EP-3074402-A1 BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS Merck Sharp & Dohme Corp. (US) 2016-10-05 EP disclosed
WO-2015077905-A1 BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2015-06-04 WO disclosed
WO-2015080988-A1 BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2015-06-04 WO disclosed
WO-2015077905-A1 BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2015-06-04 WO disclosed
WO-2015080988-A1 BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2015-06-04 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 (1 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-20170002008-A1 BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS SCN1B, CACNA1E, CACNA1B MGAM 4303/4885GAA 4113/4885SI 4089/4885

“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.