SCHEMBL16757153

SCHEMBL16757153

CCOC(=O)CCC1(C(=O)OC)CCCN1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.42
CYP2D6 P10635 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL23043010 0.84 MEN1 (0.47) MEN1KMT2AL3MBTL1OPRM1OPRD1
SCHEMBL24998568 0.84 CYP2D6 (0.46) CYP2D6CYP3A4ALDH1A1
SCHEMBL26197013 0.82
SCHEMBL1556517 0.79 ALDH1A1 (0.41) LMNACYP2D6ALDH1A1
SCHEMBL1554888 0.77 KDM4E (0.44) MEN1KMT2AL3MBTL1OPRM1OPRD1
SCHEMBL9546413 0.75 CYP3A4 (0.52) MEN1KMT2AL3MBTL1OPRM1OPRD1
SCHEMBL25000116 0.74 CYP2D6 (0.48) MEN1KMT2AKDM4ECYP2D6CYP3A4
SCHEMBL30067766 0.73 CYP2D6 (0.44) MEN1KMT2ACYP2D6CYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL10692524 0.73 CYP2D6 (0.47) MEN1KMT2AL3MBTL1POLBCYP2D6
Hydrochloric Acid SCHEMBL6951427 0.73 CYP2D6 (0.47) MEN1KMT2AL3MBTL1POLBCYP2D6

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 12 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
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-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
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

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 MEN1 1999/4885KMT2A 2664/4885L3MBTL1 1663/4885

“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.